4-(2,6-dimethylpyridine-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

• ChemBase编号: 791477
• 分子式: C15H22N4O2
• 平均质量: 290.36078
• 单一同位素质量: 290.17427596
• SMILES: C(=O)(N1CCN(C(=O)c2cc(nc(c2)C)C)CC1)N(C)C
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)c1cc(C)nc(c1)C)N(C)C
• InChI: InChI=1S/C15H22N4O2/c1-11-9-13(10-12(2)16-11)14(20)18-5-7-19(8-6-18)15(21)17(3)4/h9-10H,5-8H2,1-4H3
• InChIKey: HJSQDLHCCLJRKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2,6-dimethylpyridine-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
• IUPAC传统名: 4-(2,6-dimethylpyridine-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
• 别名: 4-(2,6-dimethylisonicotinoyl)-N,N-dimethylpiperazine-1-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.56838727
• LogD (pH = 7.4): -0.49686792
• Log P: -0.49587333
• 摩尔折射率: 80.7473 cm^3
• 极化性: 30.326923 Å^3
• 极化表面积: 56.75 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: -0.15
• LOG S: -2.5
• 极化表面积: 56.75 Å^2
• 可自由旋转的化学键: 1