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Summary Geometry Related PDB entries

L8Y

Summary

Name:	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
Formula:	C19 H17 F N6 O2
Formal charge:	0
Formula weight:	380.376 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	4-[(2-aminocarbonylphenyl)amino]-6-[(5-fluoranylpyridin-2-yl)amino]-~{N}-methyl-pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F
InChI	InChI	1.03	InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)
InChIKey	InChI	1.03	FFYLSLMDLCQSRS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O
SMILES	CACTVS	3.385	CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F

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