6-(6-methoxypyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide

• ChemBase编号: 593176
• 分子式: C14H15N3O2
• 平均质量: 257.2878
• 单一同位素质量: 257.11642674
• SMILES: n1c(C(=O)N(C)C)cccc1c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1cccc(n1)C(=O)N(C)C
• InChI: InChI=1S/C14H15N3O2/c1-17(2)14(18)12-6-4-5-11(16-12)10-7-8-13(19-3)15-9-10/h4-9H,1-3H3
• InChIKey: GCCHZMBYNRTTRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(6-methoxypyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide
• IUPAC传统名: 6-(6-methoxypyridin-3-yl)-N,N-dimethylpyridine-2-carboxamide
• 别名: 6'-methoxy-N,N-dimethyl-2,3'-bipyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.6914574
• LogD (pH = 7.4): 1.6916038
• Log P: 1.6916057
• 摩尔折射率: 71.7849 cm^3
• 极化性: 28.52392 Å^3
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.66
• LOG S: -1.64
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 3