WBI

N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide

Created:	2014-03-25
Last modified:	2015-04-08

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1 entries where WBI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	12

2D diagram of WBI

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Chemical Component Summary
Name	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
Systematic Name (OpenEye OEToolkits)	N-(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperidin-1-yl-benzamide
Formula	C₂₂ H₂₂ N₄ O₂
Molecular Weight	374.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2NC=C(c1ccncc1)C=C2NC(=O)c3ccc(cc3)N4CCCCC4
SMILES	CACTVS	3.385	O=C1NC=C(C=C1NC(=O)c2ccc(cc2)N3CCCCC3)c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4
Canonical SMILES	CACTVS	3.385	O=C1NC=C(C=C1NC(=O)c2ccc(cc2)N3CCCCC3)c4ccncc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1765097
PubChem	52936434
ChEMBL	CHEMBL1765097

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.