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

• ChemBase编号: 703955
• 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(CN1CCOCC1)C
• Canonical SMILES: O=C(C(CN1CCOCC1)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H24N4O2/c1-12(11-18-6-8-21-9-7-18)15(20)17-14-10-16-13-4-2-3-5-19(13)14/h10,12H,2-9,11H2,1H3,(H,17,20)
• InChIKey: AGBQARWFNFSQIN-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-methyl-3-(morpholin-4-yl)propanamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methyl-3-(morpholin-4-yl)propanamide
• 别名: 2-methyl-3-morpholin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

理论计算性质

JChem

• Acid pKa: 13.714645
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.639932
• LogD (pH = 7.4): 0.37686816
• Log P: 0.65308666
• 摩尔折射率: 81.7402 cm^3
• 极化性: 31.06139 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: 0.38
• LOG S: -1.66
• 极化表面积: 59.39 Å^2
• 可自由旋转的化学键: 4