2-(dimethylamino)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(3-methylphenyl)acetamide

• ChemBase编号: 693568
• 分子式: C20H24N4O
• 平均质量: 336.43076
• 单一同位素质量: 336.19501141
• SMILES: c12n(c(cn1)CNC(=O)C(c1cc(ccc1)C)N(C)C)cccc2C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NCc1cnc2n1cccc2C)N(C)C
• InChI: InChI=1S/C20H24N4O/c1-14-7-5-9-16(11-14)18(23(3)4)20(25)22-13-17-12-21-19-15(2)8-6-10-24(17)19/h5-12,18H,13H2,1-4H3,(H,22,25)
• InChIKey: MYSQQUAJUJNSPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(3-methylphenyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(3-methylphenyl)acetamide
• 别名: 2-(dimethylamino)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(3-methylphenyl)acetamide

理论计算性质

JChem

• Acid pKa: 13.853942
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.13992041
• LogD (pH = 7.4): 2.1534934
• Log P: 2.4789362
• 摩尔折射率: 101.6004 cm^3
• 极化性: 38.351112 Å^3
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.04
• LOG S: -4.25
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 5