Cas no 101392-31-8 (3-Pyridinecarboxamide, N-acetyl-1,2-dihydro-2-oxo-)

3-Pyridinecarboxamide, N-acetyl-1,2-dihydro-2-oxo- structure
101392-31-8 structure
Product Name:3-Pyridinecarboxamide, N-acetyl-1,2-dihydro-2-oxo-
CAS No:101392-31-8
MF:C8H8N2O3
MW:180.16072177887
CID:1131728
PubChem ID:13466162
Update Time:2025-04-20

3-Pyridinecarboxamide, N-acetyl-1,2-dihydro-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxamide, N-acetyl-1,2-dihydro-2-oxo-
    • N-acetyl-2-oxo-1H-pyridine-3-carboxamide
    • 101392-31-8
    • DTXSID40541548
    • N-Acetyl-2-oxo-1,2-dihydropyridine-3-carboxamide
    • Inchi: 1S/C8H8N2O3/c1-5(11)10-8(13)6-3-2-4-9-7(6)12/h2-4H,1H3,(H,9,12)(H,10,11,13)
    • InChI Key: KSQOBAULIYDSMW-UHFFFAOYSA-N
    • SMILES: O=C1C(C(NC(C)=O)=O)=CC=CN1

Computed Properties

  • Exact Mass: 331.10835
  • Monoisotopic Mass: 180.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 328
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 75.3?2

Experimental Properties

  • PSA: 75.27
  • LogP: 0.90380
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