N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase编号: 358318
• 分子式: C17H18N4O2
• 平均质量: 310.35042
• 单一同位素质量: 310.14297584
• SMILES: n12c(c(nc1cccc2)C)CC(=O)Nn1c(=O)cc(cc1C)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C17H18N4O2/c1-11-8-12(2)21(17(23)9-11)19-16(22)10-14-13(3)18-15-6-4-5-7-20(14)15/h4-9H,10H2,1-3H3,(H,19,22)
• InChIKey: MIAWWDPNVIYVFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: N-(2,4-dimethyl-6-oxopyridin-1-yl)-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 9.976106
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.17540933
• LogD (pH = 7.4): 0.51798886
• Log P: 0.54486126
• 摩尔折射率: 90.0816 cm^3
• 极化性: 32.835487 Å^3
• 极化表面积: 66.71 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.46
• LOG S: -2.71
• 极化表面积: 68.4 Å^2
• 可自由旋转的化学键: 3