N-ethyl-2,6-dimethyl-N-(2-methylprop-2-en-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 352824
• 分子式: C16H21N3O
• 平均质量: 271.35744
• 单一同位素质量: 271.16846231
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(CC(=C)C)CC
• Canonical SMILES: CCN(C(=O)c1c(C)nc2n1cc(C)cc2)CC(=C)C
• InChI: InChI=1S/C16H21N3O/c1-6-18(9-11(2)3)16(20)15-13(5)17-14-8-7-12(4)10-19(14)15/h7-8,10H,2,6,9H2,1,3-5H3
• InChIKey: YXKQDRWDCAYTHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2,6-dimethyl-N-(2-methylprop-2-en-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-ethyl-2,6-dimethyl-N-(2-methylprop-2-en-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-ethyl-2,6-dimethyl-N-(2-methylprop-2-en-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8335879
• LogD (pH = 7.4): 1.9519979
• Log P: 1.9537536
• 摩尔折射率: 82.5117 cm^3
• 极化性: 30.46046 Å^3
• 极化表面积: 37.61 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: 2
• 质子供体: 0
• Log P: 2.48
• LOG S: -3.3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 4