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

• ChemBase编号: 581690
• 分子式: C18H20N4O2
• 平均质量: 324.377
• 单一同位素质量: 324.1586259
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)c1c(C)nc2n1ccc(c2)C
• InChI: InChI=1S/C18H20N4O2/c1-12-6-8-22-16(9-12)21-14(3)17(22)18(23)20-10-13(2)24-15-5-4-7-19-11-15/h4-9,11,13H,10H2,1-3H3,(H,20,23)
• InChIKey: ZNBONHXZIGLUGN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 16.017385
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.1005381
• LogD (pH = 7.4): 1.2396606
• Log P: 1.2416106
• 摩尔折射率: 92.2358 cm^3
• 极化性: 34.55946 Å^3
• 极化表面积: 68.52 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: 4
• 质子供体: 1
• Log P: 2.54
• LOG S: -3.73
• 极化表面积: 68.52 Å^2
• 可自由旋转的化学键: 5