N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 446400
• 分子式: C21H24N4O
• 平均质量: 348.44146
• 单一同位素质量: 348.19501141
• SMILES: c1(C(=O)N(C2CCN(CC2)C)C)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C
• InChI: InChI=1S/C21H24N4O/c1-23-12-10-18(11-13-23)24(2)21(26)17-8-9-20-22-19(15-25(20)14-17)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3
• InChIKey: RIGSBLKTXBODFH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.94880754
• LogD (pH = 7.4): 0.97007585
• Log P: 2.1174238
• 摩尔折射率: 105.0235 cm^3
• 极化性: 40.790215 Å^3
• 极化表面积: 40.85 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: 0
• Log P: 2.03
• LOG S: -3.47
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 3