N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase编号: 511519
• 分子式: C19H26N2O2
• 平均质量: 314.42194
• 单一同位素质量: 314.19942808
• SMILES: c1(C(=O)N(CC2CC2)CCC2=CCCCC2)cn(c(=O)cc1)C
• Canonical SMILES: O=C(c1ccc(=O)n(c1)C)N(CC1CC1)CCC1=CCCCC1
• InChI: InChI=1S/C19H26N2O2/c1-20-14-17(9-10-18(20)22)19(23)21(13-16-7-8-16)12-11-15-5-3-2-4-6-15/h5,9-10,14,16H,2-4,6-8,11-13H2,1H3
• InChIKey: OOGJDMSIEPXAGL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-1-methyl-6-oxopyridine-3-carboxamide
• 别名: N-(2-cyclohex-1-en-1-ylethyl)-N-(cyclopropylmethyl)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

理论计算性质

JChem

• Log P: 2.1718974
• 摩尔折射率: 93.7718 cm^3
• 极化性: 35.22884 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1718946
• LogD (pH = 7.4): 2.1718974

Provided by Chembridge

• Log P: 2.39
• LOG S: -3.53
• 极化表面积: 42.31 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 2
• 质子供体: 0