N,N-dimethyl-6-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carboxamide

• ChemBase编号: 790741
• 分子式: C17H26N4O
• 平均质量: 302.41454
• 单一同位素质量: 302.21066147
• SMILES: C(=O)(c1cnc(N2CCC3(CN(CC3)C)CC2)cc1)N(C)C
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C17H26N4O/c1-19(2)16(22)14-4-5-15(18-12-14)21-10-7-17(8-11-21)6-9-20(3)13-17/h4-5,12H,6-11,13H2,1-3H3
• InChIKey: DEKPTDIQGMBRLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-6-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carboxamide
• IUPAC传统名: N,N-dimethyl-6-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carboxamide
• 别名: N,N-dimethyl-6-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)nicotinamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.3303905
• LogD (pH = 7.4): -1.0848039
• Log P: 1.1479421
• 摩尔折射率: 90.4506 cm^3
• 极化性: 33.726627 Å^3
• 极化表面积: 39.68 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.87
• LOG S: -2.15
• 极化表面积: 39.68 Å^2
• 可自由旋转的化学键: 2