3UL

N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide

Created:	2014-11-05
Last modified:	2015-09-16

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1 entries where 3UL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of 3UL

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Chemical Component Summary
Name	N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
Systematic Name (OpenEye OEToolkits)	N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
Formula	C₁₈ H₁₈ F₃ N₃ O
Molecular Weight	349.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cc(c(cc1)N2CCCCC2)NC(=O)c3ccncc3
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3
InChI	InChI	1.03	InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKey	InChI	1.03	DWFGGOFPIISJIT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2797577
ChEMBL	CHEMBL4064277

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