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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:53 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230746
Frequency0.5
Structure
Chemical FormulaC17H17FN2
Molecular Mass268.1376
SMILESCN1C2CC1C(c1ccc(F)cc1)(c1cccnc1)C2
InChI KeyBWDAJLSAZNICCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl fluorides
  • azacyclic compounds
  • azetidines
  • fluorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organofluorides
  • organopnictogen compounds
  • phenylpyrrolidines
  • pyrroles
  • trialkylamines
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • pyrrolidinylpyridine
  • organohalogen compound
  • fluorobenzene
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • organofluoride
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • aryl halide
  • azetidine
  • 3-phenylpyrrolidine
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine