N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide

• ChemBase编号: 832466
• 分子式: C16H21N3O
• 平均质量: 271.35744
• 单一同位素质量: 271.16846231
• SMILES: n12c(nc(c1)CCC(=O)N(CC(=C)C)CC)cccc2
• Canonical SMILES: CCN(C(=O)CCc1nc2n(c1)cccc2)CC(=C)C
• InChI: InChI=1S/C16H21N3O/c1-4-18(11-13(2)3)16(20)9-8-14-12-19-10-6-5-7-15(19)17-14/h5-7,10,12H,2,4,8-9,11H2,1,3H3
• InChIKey: OGMBVFMLTGQQOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide
• IUPAC传统名: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide
• 别名: N-ethyl-3-imidazo[1,2-a]pyridin-2-yl-N-(2-methylprop-2-en-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.94823384
• LogD (pH = 7.4): 1.660239
• Log P: 1.6876109
• 摩尔折射率: 81.2301 cm^3
• 极化性: 30.826792 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.83
• LOG S: -2.74
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 6