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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:24 UTC
Update Date2025-03-25 00:51:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186269
Frequency0.5
Structure
Chemical FormulaC11H15N3O
Molecular Mass205.1215
SMILESNCC1CCC(c2ccccn2)NC1=O
InChI KeyIZAOWYIQPHMTGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass bipyridines and oligopyridines
Direct Parent bipyridines and oligopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • 2-halopyridine
  • piperidine
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • beta amino acid or derivatives
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • bipyridine
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound