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...

General Information

Structure

Molecular Formula

C₁₃H₁₃N₃O₂

Molecular Mass

243.26122

Exact Mass

243.10077667

Charge

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

Calculated Properties

JChem

Acid pKa

13.995762

H Acceptors

H Donor

LogD (pH = 5.5)

0.8709977

LogD (pH = 7.4)

0.8868947

Log P

0.8871013

Molar Refractivity

68.4454

Polarizability

25.580072

Polar Surface Area

77.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

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 name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD08692047

CAS Number

284462-37-9

PubChem SID

162058465