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Summary Geometry Related PDB entries

WBI

Summary

Name:	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
Formula:	C22 H22 N4 O2
Formal charge:	0
Formula weight:	374.436 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
OpenEye OEToolkits	1.7.6	N-(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-yl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2NC=C(c1ccncc1)C=C2NC(=O)c3ccc(cc3)N4CCCCC4
InChI	InChI	1.03	InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
InChIKey	InChI	1.03	ABBVAIMDGQMDHS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1NC=C(C=C1NC(=O)c2ccc(cc2)N3CCCCC3)c4ccncc4
SMILES	CACTVS	3.385	O=C1NC=C(C=C1NC(=O)c2ccc(cc2)N3CCCCC3)c4ccncc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4

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