608

N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide

Created:	2007-07-16
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	24

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Chemical Component Summary
Name	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
Systematic Name (OpenEye OEToolkits)	N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
Formula	C₂₄ H₂₀ N₄ O₂
Molecular Weight	396.441
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c2cccnc2NCc1ccncc1)Nc4ccc(Oc3ccccc3)cc4
SMILES	CACTVS	3.341	O=C(Nc1ccc(Oc2ccccc2)cc1)c3cccnc3NCc4ccncc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4
Canonical SMILES	CACTVS	3.341	O=C(Nc1ccc(Oc2ccccc2)cc1)c3cccnc3NCc4ccncc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4
InChI	InChI	1.03	InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)
InChIKey	InChI	1.03	CPVRYQAOUPSUDO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07183
Name	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
Groups	experimental
Synonyms	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Vascular endothelial growth factor receptor 2	MQSKVLLAVALWLCVETRAASVGLPSVSLDLPRLSIQKDILTIKANTTLQ...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682