N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 741486
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: c1(nc2c([nH]1)cccc2)C(NC(=O)Cn1c(=O)cccc1)C
• Canonical SMILES: O=C(Cn1ccccc1=O)NC(c1nc2c([nH]1)cccc2)C
• InChI: InChI=1S/C16H16N4O2/c1-11(16-18-12-6-2-3-7-13(12)19-16)17-14(21)10-20-9-5-4-8-15(20)22/h2-9,11H,10H2,1H3,(H,17,21)(H,18,19)
• InChIKey: UUCIPEQTPRSSDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-[1-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxopyridin-1-yl)acetamide
• Synonyms: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.389981
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.67831063
• LogD (pH = 7.4): 0.7862936
• Log P: 0.7879167
• Molar Refractivity: 83.0895 cm^3
• Polarizability: 32.41912 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.72
• LOG S: -1.98
• Polar Surface Area: 79.78 Å^2
• Rotatable Bonds: 4