N,2,7-trimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 502364
• 分子式: C19H22N4O
• 平均质量: 322.40418
• 单一同位素质量: 322.17936134
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N(C(c1cnccc1)CC)C
• Canonical SMILES: CCC(N(C(=O)c1c(C)nc2n1ccc(c2)C)C)c1cccnc1
• InChI: InChI=1S/C19H22N4O/c1-5-16(15-7-6-9-20-12-15)22(4)19(24)18-14(3)21-17-11-13(2)8-10-23(17)18/h6-12,16H,5H2,1-4H3
• InChIKey: BPXYFLRTBJDMCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,7-trimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N,2,7-trimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N,2,7-trimethyl-N-(1-pyridin-3-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9292254
• LogD (pH = 7.4): 2.0663133
• Log P: 2.0682325
• 摩尔折射率: 95.7169 cm^3
• 极化性: 35.71222 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.34
• LOG S: -2.25
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4