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Summary Geometry Related PDB entries

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Summary

Name:	N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
Formula:	C24 H31 N5 O
Formal charge:	0
Formula weight:	405.536 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide
OpenEye OEToolkits	2.0.7	~{N}-(4-imidazol-1-ylbutyl)-~{N}-[[6-[(4-propan-2-ylphenyl)amino]pyridin-3-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)c1ccc(cc1)Nc1ccc(cn1)CN(CCCCn1ccnc1)C(C)=O
InChI	InChI	1.06	InChI=1S/C24H31N5O/c1-19(2)22-7-9-23(10-8-22)27-24-11-6-21(16-26-24)17-29(20(3)30)14-5-4-13-28-15-12-25-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,26,27)
InChIKey	InChI	1.06	RXDPQGNPSDYGLU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1ccc(Nc2ccc(CN(CCCCn3ccnc3)C(C)=O)cn2)cc1
SMILES	CACTVS	3.385	CC(C)c1ccc(Nc2ccc(CN(CCCCn3ccnc3)C(C)=O)cn2)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)c1ccc(cc1)Nc2ccc(cn2)CN(CCCCn3ccnc3)C(=O)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1ccc(cc1)Nc2ccc(cn2)CN(CCCCn3ccnc3)C(=O)C

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