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

• ChemBase ID: 664743
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: n1c([nH]c2c1cccc2)CCNC(=O)Cn1c(=O)cccc1
• Canonical SMILES: O=C(Cn1ccccc1=O)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C16H16N4O2/c21-15(11-20-10-4-3-7-16(20)22)17-9-8-14-18-12-5-1-2-6-13(12)19-14/h1-7,10H,8-9,11H2,(H,17,21)(H,18,19)
• InChIKey: OADOYQSRTRSMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.80568
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22945735
• LogD (pH = 7.4): 0.45231935
• Log P: 0.45616522
• Molar Refractivity: 83.295 cm^3
• Polarizability: 32.420177 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.3
• LOG S: -2.93
• Polar Surface Area: 79.78 Å^2
• Rotatable Bonds: 5