Summary

IMPPAT Phytochemical identifier: IMPHY009280

Phytochemical name: 1-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

Synonymous chemical names:
nudiflorine, nudiflorine(1-methyl-5-cyano-2-pyridone)

External chemical identifiers:
CID:69851, ZINC:ZINC000001845712, SureChEMBL:SCHEMBL12909926, MolPort-022-365-822

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Chemical structure information

SMILES:
N#Cc1ccc(=O)n(c1)C

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

InChIKey:
XICDFLICODYZJE-UHFFFAOYSA-N

DeepSMILES:
N#Ccccc=O)nc6)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: -1.465

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Chemical structure download