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CHEBI:228500 - N1-(4-pyridylmethyl)-2-cyano-3-(1H-pyrrol-2-yl)acrylamide

Default Structure
ChEBI IDCHEBI:228500
ChEBI NameN1-(4-pyridylmethyl)-2-cyano-3-(1H-pyrrol-2-yl)acrylamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12N4O
Net Charge0
Average Mass252.277
Monoisotopic Mass252.10111
SMILESN#CC(=Cc1cccn1)C(=O)NCc1ccncc1
InChIInChI=1S/C14H12N4O/c15-9-12(8-13-2-1-5-17-13)14(19)18-10-11-3-6-16-7-4-11/h1-8,17H,10H2,(H,18,19)
InChIKeyXFWNIQKNZDCVCD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
N1-(4-pyridylmethyl)-2-cyano-3-(1H-pyrrol-2-yl)acrylamide (CHEBI:228500) is a pyridines (CHEBI:26421)
IUPAC Name 
2-cyano-N-(pyridin-4-ylmethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
Manual XrefsDatabases
2081918ChemSpider