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Summary Geometry Related PDB entries

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Summary

Name:	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
Formula:	C16 H16 Cl N3 O
Formal charge:	0
Formula weight:	301.771 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
OpenEye OEToolkits	2.0.7	2-(3-chlorophenyl)-~{N}-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)CC(=O)Nc1cncc2NCCCc12
InChI	InChI	1.06	InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1,3-4,7,9-10,19H,2,5-6,8H2,(H,20,21)
InChIKey	InChI	1.06	CVTLEGSZWVPMPP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cncc3NCCCc23)c1
SMILES	CACTVS	3.385	Clc1cccc(CC(=O)Nc2cncc3NCCCc23)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCN3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCN3

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