N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide

• ChemBase ID: 660298
• Molecular Formular: C17H18N6O2
• Molecular Mass: 338.36382
• Monoisotopic Mass: 338.14912385
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)Cc1ccc(n2nnnc2C)cc1
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)Cc1ccc(cc1)n1nnnc1C
• InChI: InChI=1S/C17H18N6O2/c1-11-8-12(2)22(17(25)9-11)19-16(24)10-14-4-6-15(7-5-14)23-13(3)18-20-21-23/h4-9H,10H2,1-3H3,(H,19,24)
• InChIKey: FQCNIHLBSBUPKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-2-[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]acetamide
• Synonyms: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-2-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.802774
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.86765593
• LogD (pH = 7.4): 0.8661567
• Log P: 0.8676754
• Molar Refractivity: 97.1098 cm^3
• Polarizability: 35.21237 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.05
• LOG S: -2.56
• Polar Surface Area: 94.7 Å^2
• Rotatable Bonds: 4