N,6-dimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 402816
• 分子式: C18H20N4O
• 平均质量: 308.3776
• 单一同位素质量: 308.16371128
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(C(c1cnccc1)CC)C
• Canonical SMILES: CCC(N(C(=O)c1cn2c(n1)ccc(c2)C)C)c1cccnc1
• InChI: InChI=1S/C18H20N4O/c1-4-16(14-6-5-9-19-10-14)21(3)18(23)15-12-22-11-13(2)7-8-17(22)20-15/h5-12,16H,4H2,1-3H3
• InChIKey: OSALMXUFDDJFHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,6-dimethyl-N-[1-(pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,6-dimethyl-N-(1-pyridin-3-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.3252125
• LogD (pH = 7.4): 2.4016452
• Log P: 2.4027116
• 摩尔折射率: 90.8759 cm^3
• 极化性: 33.94598 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: 1.6
• LOG S: -1.51
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4