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

• ChemBase编号: 864273
• 分子式: C14H19N3O3
• 平均质量: 277.31896
• 单一同位素质量: 277.14264148
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCC1C(=O)OCC1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCC1CCOC1=O
• InChI: InChI=1S/C14H19N3O3/c18-13(5-4-10-6-8-20-14(10)19)16-12-9-15-11-3-1-2-7-17(11)12/h9-10H,1-8H2,(H,16,18)
• InChIKey: OLYWPHZYYJDIFX-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}-3-(2-oxooxolan-3-yl)propanamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2-oxooxolan-3-yl)propanamide
• 别名: 3-(2-oxotetrahydrofuran-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propanamide

理论计算性质

JChem

• 里宾斯基五规则: true
• Acid pKa: 13.832906
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.0033167312
• LogD (pH = 7.4): 0.6541929
• Log P: 0.68486845
• 摩尔折射率: 73.0691 cm^3
• 极化性: 27.811628 Å^3
• 极化表面积: 73.22 Å^2
• 可自由旋转的化学键: 4

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: -0.46
• LOG S: -2.14
• 极化表面积: 73.22 Å^2
• 可自由旋转的化学键: 4