N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase编号: 749898
• 分子式: C19H28N4O
• 平均质量: 328.45182
• 单一同位素质量: 328.22631154
• SMILES: c12n(c(cc(c2)C)C)cc(n1)CNC(=O)CCC1N(C)CCCC1
• Canonical SMILES: O=C(NCc1cn2c(n1)cc(cc2C)C)CCC1CCCCN1C
• InChI: InChI=1S/C19H28N4O/c1-14-10-15(2)23-13-16(21-18(23)11-14)12-20-19(24)8-7-17-6-4-5-9-22(17)3/h10-11,13,17H,4-9,12H2,1-3H3,(H,20,24)
• InChIKey: AYAKHUGHLJULLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC传统名: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide
• 别名: N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-methyl-2-piperidinyl)propanamide

理论计算性质

JChem

• Acid pKa: 15.751187
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.1486049
• LogD (pH = 7.4): -0.30137092
• Log P: 1.8259248
• 摩尔折射率: 98.2179 cm^3
• 极化性: 37.233273 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: 2.15
• LOG S: -3.43
• 极化表面积: 49.64 Å^2
• 可自由旋转的化学键: 5