CAS 114-33-0|N-methylpyridine-3-carboxamide|N'-METHYLNICOTINAMIDE|N-methylnicotinamide|N-METHYLNICOTINAMIDE|<i>N</i>-Methylnicotinamide|N'methylnicotinamide|<i>N</i>-Methylniacinamide|Nicotinyl meth...

基本信息

化学结构

分子式

C₇H₈N₂O

分子量

136.15122

精确质量

136.06366289

电荷

InChI

InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)

InChIKey

ZYVXHFWBYUDDBM-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)c1cccnc1

Isomeric Smiles

CNC(=O)c1cccnc1

计算属性

JChem

LogD (pH = 7.4)

-0.17

LogD (pH = 5.5)

-0.18

Log P

-0.17

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

3.62

极化表面积

41.99

极化性

13.87

摩尔折射率

37.88

LOG S

-0.40

数据来源

名称和标识

别名

N'-METHYLNICOTINAMIDEN-METHYLNICOTINAMIDEN-MethylnicotinamideN-MethylniacinamideNicotinyl methylamideN-甲基烟酰胺N-Methylnicotinamide3-(N-Methylcarbamoyl)pyridineN-methylpyridine-3-carboxamideN-methylnicotinamideNicotinic acid methylamideN-Methyl-3-pyridinecarboxamide3-(Methylcarbamoyl)pyridineN-Methyl nicotineamide

IUPAC标准名

N-methylpyridine-3-carboxamide

IUPAC传统名

N-methylnicotinamide N'methylnicotinamide

名称和标识

数据登录号

PubChem CID

64950

维基百科标题

Nicotinyl_methylamide

CAS号

114-33-0