N-methyl-2-phenyl-N-[1-(pyridin-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 745943
• 分子式: C23H22N4O
• 平均质量: 370.44698
• 单一同位素质量: 370.17936134
• SMILES: c1(C(=O)N(C(c2ncccc2)CC)C)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CCC(N(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C)c1ccccn1
• InChI: InChI=1S/C23H22N4O/c1-3-21(19-11-7-8-14-24-19)26(2)23(28)18-12-13-22-25-20(16-27(22)15-18)17-9-5-4-6-10-17/h4-16,21H,3H2,1-2H3
• InChIKey: PYDDCCSZVYONDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-phenyl-N-[1-(pyridin-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-methyl-2-phenyl-N-[1-(pyridin-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-methyl-2-phenyl-N-(1-pyridin-2-ylpropyl)imidazo[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): 3.5686886
• LogD (pH = 7.4): 3.7670105
• Log P: 3.7701766
• 摩尔折射率: 110.5238 cm^3
• 极化性: 43.167694 Å^3
• 极化表面积: 50.5 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: 0
• Log P: 2.6
• LOG S: -2.82
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 5