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Summary Geometry Related PDB entries

JCP

Summary

Name:	6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:	C20 H19 N7 O2
Formal charge:	0
Formula weight:	389.411 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
OpenEye OEToolkits	2.0.7	6-cyclopropyl-~{N}-[4-(methylcarbamoyl)pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1
InChI	InChI	1.03	InChI=1S/C20H19N7O2/c1-21-19(28)14-6-7-22-10-17(14)27-20(29)18-16(25-13-8-23-11-24-9-13)5-4-15(26-18)12-2-3-12/h4-12,25H,2-3H2,1H3,(H,21,28)(H,27,29)
InChIKey	InChI	1.03	QJUBZPIVEQSLKB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4
SMILES	CACTVS	3.385	CNC(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4

222415

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