N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)butanamide

• ChemBase编号: 545793
• 分子式: C15H24N4O2
• 平均质量: 292.37666
• 单一同位素质量: 292.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(N1CCOCC1)CC
• Canonical SMILES: CCC(C(=O)Nc1cnc2n1CCCC2)N1CCOCC1
• InChI: InChI=1S/C15H24N4O2/c1-2-12(18-7-9-21-10-8-18)15(20)17-14-11-16-13-5-3-4-6-19(13)14/h11-12H,2-10H2,1H3,(H,17,20)
• InChIKey: IEVWKZRBIKYYMI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)butanamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(morpholin-4-yl)butanamide
• 别名: 2-morpholin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

理论计算性质

JChem

• Acid pKa: 13.345315
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.050855666
• LogD (pH = 7.4): 0.930441
• Log P: 0.96437424
• 摩尔折射率: 81.4842 cm^3
• 极化性: 31.061304 Å^3
• 极化表面积: 59.39 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: 4
• 质子供体: 1
• Log P: 1.31
• LOG S: -2.45
• 极化表面积: 59.39 Å^2
• 可自由旋转的化学键: 4