KRX

6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

Created:	2015-02-18
Last modified:	2015-06-03

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1 entries where KRX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	12

2D diagram of KRX

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Chemical Component Summary
Name	6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	6-(3-methoxyphenyl)-N-[1-[2,2,2-tris(fluoranyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
Formula	C₂₀ H₂₂ F₃ N₃ O₂
Molecular Weight	393.403
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)CN3CCC(NC(=O)c1ccc(nc1)c2cccc(OC)c2)CC3
SMILES	CACTVS	3.385	COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
Canonical SMILES	CACTVS	3.385	COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
InChI	InChI	1.03	InChI=1S/C20H22F3N3O2/c1-28-17-4-2-3-14(11-17)18-6-5-15(12-24-18)19(27)25-16-7-9-26(10-8-16)13-20(21,22)23/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,27)
InChIKey	InChI	1.03	KJXMFUFGGQJXRP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3425948
PubChem	59743926
ChEMBL	CHEMBL3425948

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.