1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase编号: 175749
• 分子式: C7H8N2O2
• 平均质量: 152.15062
• 单一同位素质量: 152.05857751
• SMILES: c1c(=O)n(cc(c1)C(=O)N)C
• Canonical SMILES: NC(=O)c1ccc(=O)n(c1)C
• InChI: InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
• InChIKey: JLQSXXWTCJPCBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC传统名: 1-methyl-6-oxopyridine-3-carboxamide
• 别名: N-Methyl-2-pyridoxone-5-carboxamide; N-Methyl-2-pyridinone-5-carboxamide; 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarboxamide; 1,6-Dihydro-1-methyl-6-oxonicotinamide; 3-Carbamoyl-1-methyl-6-pyridone; N1-Methyl-2-pyridone-5-carboxamide; Nudifloramide

登记号

• CAS号: 701-44-0
• PubChem SID: 164231659
• PubChem CID: 69698

理论计算性质

• Acid pKa: 15.931644
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1313825
• LogD (pH = 7.4): -1.1313512
• Log P: -1.1313508
• 摩尔折射率: 40.7634 cm^3
• 极化性: 14.871225 Å^3
• 极化表面积: 63.4 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: Light Brown Solid
• 熔点: 202-207°C (dec.)

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - N925500

Nudifloramide is a metabolite of Niacin (or Nicorinic acid).

参考文献

• Felsted, R., et al.: J. Biol. Chem., 242, 1274 (1967)
• Igel, M., et al.: Eur. J. Clin. Pharmacol., 57, 357 (1967)
• Kashyap, M., et al.: Am. J. Cardiol., 89, 672 (1967)
• Bottorff, M., et al.: Am. J. Cardiol., 97, 27 (1967)