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Summary Geometry Related PDB entries

DL1

Summary

Name:	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Formula:	C20 H21 N5 O3
Formal charge:	0
Formula weight:	379.412 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
OpenEye OEToolkits	2.0.6	~{N}-(2-methoxy-4-morpholin-4-yl-phenyl)-6-(1~{H}-pyrazol-5-yl)pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1COCCN1c2ccc(c(c2)OC)NC(=O)c3cccc(n3)c4nncc4
InChI	InChI	1.03	InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)
InChIKey	InChI	1.03	RAFFLDOJXQAJPF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1NC(=O)c2cccc(n2)c3[nH]ncc3)N4CCOCC4
SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2cccc(n2)c3[nH]ncc3)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4

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