4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide - CAS 284462-37-9

Name: 4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019848
Product Name:	4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide
CAS:	284462-37-9
Synonyms:	4-(4-Aminophenoxy)-N-methylpicolinamide; 4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline; 4-[(4-aminomethyl)phenoxy]-2-pyridine carbonic acid methylamide; Sorafenib Imp -1; Sorafenib Related Compound 23

Technical Data

IUPAC Name:	4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
Description:	[4-(4-Aminophenoxy)(2-pyridyl)]-N-methylcarboxamide is an intermediate of Sorafenib, which is a kinase inhibitor drug used for the treatment of primary kidney cancer (advanced renal cell carcinoma), advanced primary liver cancer (hepatocellular carcinoma), FLT3-ITD positive AML and radioactive iodine resistant advanced thyroid carcinoma.
Molecular Weight:	243.26
Molecular Formula:	C13H13N3O2
Canonical SMILES:	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
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)
InChI Key:	RXZZBPYPZLAEFC-UHFFFAOYSA-N
Boiling Point:	476.8±40.0°C (Predicted)
Melting Point:	110-112°C
Purity:	≥95%
Density:	1.241±0.06 g/cm³ (Predicted)
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Light brown to brown solid
Storage:	Store at 2-8°C
LogP:	2.78780

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112028814-A	Method for preparing amine compound based on novel catalytic Curtius rearrangement reaction	20200930
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RU-2020112728-A	AMORPHOUS FORM 4- {4 - [({[4-CHLORO-3- (TRIFLUOROMETHYL) PHENYL] AMINO} CARBONYL) -AMINO] PHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE TOSILATE (VERSIONS), METHOD FOR APPLICATION TREATMENT OF ONCOLOGICAL DISEASES	20200330
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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.100776666
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.100776666
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3