Summary

IMPPAT Phytochemical identifier: IMPHY004057

Phytochemical name: 1-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Synonymous chemical names:
1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, ricinidine

External chemical identifiers:
CID:303840, ZINC:ZINC000001733152, SureChEMBL:SCHEMBL1201357, MolPort-008-750-989

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Chemical structure information

SMILES:
N#Cc1cccn(c1=O)C

InChI:
InChI=1S/C7H6N2O/c1-9-4-2-3-6(5-8)7(9)10/h2-4H,1H3

InChIKey:
FGNXJXOLWUDCCB-UHFFFAOYSA-N

DeepSMILES:
N#Cccccnc6=O))C

Functional groups:
c=O, cC#N, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc[nH]1

Scaffold Graph/Node level:
OC1CCCCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: 3-pyridinecarbonitriles

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -1.81

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Chemical structure download