CAS 284462-37-9|4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide|4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide|4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide|4-(4-Aminophenoxy)-N-methyl-2-py...

基本信息

化学结构

分子式

C₁₃H₁₃N₃O₂

分子量

243.26122

精确质量

243.10077667

电荷

InChI

InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)

InChIKey

RXZZBPYPZLAEFC-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)c1nccc(c1)Oc1ccc(cc1)N

Isomeric Smiles

C(=O)(c1cc(Oc2ccc(N)cc2)ccn1)NC

计算属性

JChem

Acid pKa

13.995762

质子受体

质子供体

LogD (pH = 5.5)

0.8709977

LogD (pH = 7.4)

0.8868947

Log P

0.8871013

摩尔折射率

68.4454

极化性

25.580072

极化表面积

77.24

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide4-(4-Aminophenoxy)-N-methylpicolinamide[4-(4-Aminophenoxy)(2-pyridyl)]-N-methylcarboxamide4-(4-Aminophenoxy)-N-methylpicolinamide

IUPAC标准名

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide

IUPAC传统名

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide

名称和标识

数据登录号

CAS号

284462-37-9

MDL号

MFCD08692047

PubChem SID

162058465