4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide
fo-84bedf41604ad84a
Identity
- Type
- Neutral molecule
- CAS
- 284462-37-9
- EC
- 608-211-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
10- 2-Pyridinecarboxamide, 4-(4-aminophenoxy)-N-methyl-
- 4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide
- 4-(4-Aminophenoxy)-N-methylpicolinamide
- 4-(4-Aminophenoxy)pyridine-2-carboxylic acid methylamide
- 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline
- 4-[[2-(Methylcarbamoyl)pyridin-4-yl]oxy]aniline
- 4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline
- 4-[[2-(N-Methylcarbamoyl)pyridin-4-yl]oxy]aniline
- APS-5-13
- N-Methyl-4-(4-aminophenoxy)pyridine-2-carboxamide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RXZZBPYPZLAEFC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17) |
| IUPAC name chemrof:IUPAC_name | 4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide |
| Molecular formula chemrof:molecular_formula | C13H13N3O2 |
| Molecular mass chemrof:molecular_mass | 243.266 |
| Monoisotopic mass chemrof:monoisotopic_mass | 243.100777 |
| SMILES string chemrof:smiles_string | CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1 |
Known URLs
6Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=284462-37-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.128.323 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10586507 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RE332HKD3U | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16655129 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72440390 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 48453424-d2a4-4645-91bc-efbcd40fe9c8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6d64c2c4-829f-4240-bcc7-7a726e91499e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2f84dc19-a379-4607-b2c9-de92867ec1f1 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 5f2724b5-0eaa-4b6a-8ef7-625c5923b063 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe1ac036-7e9d-4684-8d12-8cde846ec62a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e5a14fc5-48ea-47c9-9cc7-cd41f2268105 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6e940de0-c96f-4144-a885-113e8faced2a | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 28f38438-d736-47a6-a6ba-841405a324f4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 83cb092e-9096-4b2c-8466-353d4bdde800 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 2554ff16-ad77-4ff2-b093-8fe93774e3ce | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fa64689d-3a04-40e0-b1a0-6c608a64c8dc | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f42ee34a-41e1-4000-b0c6-e8f5fb219f2f | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 01589fc1-786f-4c3c-bcc9-4414caf8716e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-84bedf41604ad84a",
"prefLabel": [
{
"@value": "4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-Pyridinecarboxamide, 4-(4-aminophenoxy)-N-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(4-Aminophenoxy)-N-methylpicolinamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(4-Aminophenoxy)pyridine-2-carboxylic acid methylamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-[[2-(Methylcarbamoyl)pyridin-4-yl]oxy]aniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-[[2-(N-Methylcarbamoyl)pyridin-4-yl]oxy]aniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "APS-5-13",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Methyl-4-(4-aminophenoxy)pyridine-2-carboxamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:284462-37-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H13N3O2"
],
"attested_by": {
"C13H13N3O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RXZZBPYPZLAEFC-UHFFFAOYSA-N"
],
"attested_by": {
"RXZZBPYPZLAEFC-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
],
"attested_by": {
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
],
"attested_by": {
"InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide"
]
},
"attested_by": {
"4-(4-aminophenoxy)-n-methylpyridine-2-carboxamide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
243.266
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
],
"attested_by": {
"243.266": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
243.100777
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1"
]
}
],
"attested_by": {
"243.100777": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.128.323",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[284462-37-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=284462-37-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[284462-37-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID10586507",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[284462-37-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RE332HKD3U",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[284462-37-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16655129",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[284462-37-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72440390",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16655129;CAS:284462-37-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[284462-37-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01589fc1-786f-4c3c-bcc9-4414caf8716e",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"284462-37-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=284462-37-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"608-211-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=608-211-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works