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A1C8H

Summary
Name:4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
Formula:C17 H15 F6 N5 O
Formal charge:0
Formula weight:419.324 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
OpenEye OEToolkits3.1.0.04-[3-(trifluoromethyl)pyridin-2-yl]-~{N}-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccc(cn1)C(F)(F)F)N1CCN(CC1)c1ncccc1C(F)(F)F
InChIInChI1.06InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)
InChIKeyInChI1.06JFRYYGVYCWYIDQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c3ncccc3C(F)(F)F)nc1
SMILESCACTVS3.385FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c3ncccc3C(F)(F)F)nc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(nc1)N2CCN(CC2)C(=O)Nc3ccc(cn3)C(F)(F)F)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(nc1)N2CCN(CC2)C(=O)Nc3ccc(cn3)C(F)(F)F)C(F)(F)F

254587

PDB entries from 2026-06-03

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