N,2-dimethoxy-N-methyl-6-(pyrrolidin-1-yl)pyridine-3-carboxamide

• ChemBase编号: 51560
• 分子式: C13H19N3O3
• 平均质量: 265.30826
• 单一同位素质量: 265.14264148
• SMILES: c1(c(nc(cc1)N1CCCC1)OC)C(=O)N(C)OC
• Canonical SMILES: COc1nc(ccc1C(=O)N(OC)C)N1CCCC1
• InChI: InChI=1S/C13H19N3O3/c1-15(19-3)13(17)10-6-7-11(14-12(10)18-2)16-8-4-5-9-16/h6-7H,4-5,8-9H2,1-3H3
• InChIKey: IKSDJNKTGAKORT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethoxy-N-methyl-6-(pyrrolidin-1-yl)pyridine-3-carboxamide
• IUPAC传统名: N,2-dimethoxy-N-methyl-6-(pyrrolidin-1-yl)pyridine-3-carboxamide
• 别名: N,2-Dimethoxy-N-methyl-6-(pyrrolidin-1-yl)nicotinamide; N,2-Dimethoxy-N-methyl-6-(pyrrolidin-1-yl)-nicotinamide; N,2-Dimethoxy-N-methyl-6-(pyrrolidin-1-yl)nicotinamide

登记号

• MDL号: MFCD15530258
• PubChem SID: 162056323
• PubChem CID: 46318075

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.7485731
• LogD (pH = 7.4): 1.7497389
• Log P: 1.7497538
• 摩尔折射率: 73.1829 cm^3
• 极化性: 26.98395 Å^3
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C13H19N3O3

详细说明

Sigma Aldrich - ADE000100

Other Notes
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