CHEBI:114987 - 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:114987
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H19N3O5
Net Charge 0
Average Mass 369.372
Monoisotopic Mass 369.13247
InChI InChI=1S/C19H19N3O5/c1-12-8-13(11-26-2)15(9-20)18(24)22(12)10-17(23)21-16-7-5-4-6-14(16)19(25)27-3/h4-8H,10-11H2,1-3H3,(H,21,23)
InChIKey NRNTXYRVKCFNDU-UHFFFAOYSA-N
SMILES CC1=CC(=C(C(=O)N1CC(=O)NC2=CC=CC=C2C(=O)OC)C#N)COC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:114987) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-26449 LINCS
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