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Summary Geometry Related PDB entries

A1IKC

Summary

Name:	N',N'-dimethyl-N-(6-naphthalen-2-yl-5-pyridin-4-yl-pyridazin-3-yl)ethane-1,2-diamine
Synonyms:	N1,N1-dimethyl-N2-(6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine
Formula:	C23 H23 N5
Formal charge:	0
Formula weight:	369.462 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}',~{N}'-dimethyl-~{N}-(6-naphthalen-2-yl-5-pyridin-4-yl-pyridazin-3-yl)ethane-1,2-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H23N5/c1-28(2)14-13-25-22-16-21(18-9-11-24-12-10-18)23(27-26-22)20-8-7-17-5-3-4-6-19(17)15-20/h3-12,15-16H,13-14H2,1-2H3,(H,25,26)
InChIKey	InChI	1.06	XDYGRRRDJKDODS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCNc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILES	CACTVS	3.385	CN(C)CCNc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)CCNc1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCNc1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4

248335

PDB entries from 2026-01-28

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