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SummaryGeometryRelated PDB entries

UDD

Summary
Name:N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
Formula:C23 H20 F6 N4
Formal charge:0
Formula weight:466.422 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(trifluoromethyl)phenyl]-N-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}pyridin-3-amine
OpenEye OEToolkits1.9.2N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc(cc3)C(F)(F)F)CC4
InChIInChI1.03InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2
InChIKeyInChI1.03XCJMUIWIEQFAQX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4
SMILESCACTVS3.385FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F
SMILESOpenEye OEToolkits1.9.2c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F

225946

PDB entries from 2024-10-09

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