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Summary Geometry Related PDB entries

QJR

Summary

Name:	2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
Formula:	C16 H11 Cl2 N3 O
Formal charge:	0
Formula weight:	332.184 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
OpenEye OEToolkits	2.0.7	2-(3,4-dichlorophenyl)-~{N}-(2,7-naphthyridin-4-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1Cl)CC(=O)Nc1cncc2cnccc21
InChI	InChI	1.06	InChI=1S/C16H11Cl2N3O/c17-13-2-1-10(5-14(13)18)6-16(22)21-15-9-20-8-11-7-19-4-3-12(11)15/h1-5,7-9H,6H2,(H,21,22)
InChIKey	InChI	1.06	IOZNTHKFTJIBSE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl
SMILES	CACTVS	3.385	Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl

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