N-methyl-N-[2-(pyridin-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 720010
• 分子式: C15H19N5O
• 平均质量: 285.34426
• 单一同位素质量: 285.15896025
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)CCc1ccccn1
• InChI: InChI=1S/C15H19N5O/c1-19(8-5-12-4-2-3-6-17-12)15(21)13-11-20-9-7-16-10-14(20)18-13/h2-4,6,11,16H,5,7-10H2,1H3
• InChIKey: KTZTVNKTXIRWEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[2-(pyridin-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: N-methyl-N-[2-(pyridin-2-yl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-methyl-N-[2-(2-pyridinyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1062833
• LogD (pH = 7.4): -0.013925336
• Log P: 0.047570266
• 摩尔折射率: 79.6482 cm^3
• 极化性: 30.448088 Å^3
• 极化表面积: 63.05 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: -1.14
• LOG S: -0.32
• 极化表面积: 63.05 Å^2
• 可自由旋转的化学键: 4