N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C38H40F6N6O4 — CID 162073696

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/2C19H20F3N3O2/c2*20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*14-/m10/s1
InChIKeyZBKUSVXQNGSQNR-IKFJUQJOSA-N
MW758.76 g/mol
LogP7.48
Rot. Bonds10

About N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 162073696) has the molecular formula C38H40F6N6O4 and a molecular weight of 758.76 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID162073696
Molecular FormulaC38H40F6N6O4
Molecular Weight758.76 g/mol
Exact Mass758.30
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/2C19H20F3N3O2/c2*20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*14-/m10/s1
InChIKeyZBKUSVXQNGSQNR-IKFJUQJOSA-N
XLogP7.48
TPSA126.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.76
LogP ≤ 57.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 45487797
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368063
N-[(1S)-1-Cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]-3-pyridinecarboxamide
CID 58368069
6-Butoxy-N-(2,4-difluorophenyl)nicotinamide
CID 58368196
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368202
N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxypyridin-4-yl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
CID 142471211
6-(4-fluorophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23728772
N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23728806
N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 117609957

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 162073696) is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZBKUSVXQNGSQNR-IKFJUQJOSA-N. The full InChI is InChI=1S/2C19H20F3N3O2/c2*20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h2*3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t2*14-/m10/s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 758.76 g/mol, XLogP of 7.48, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 162073696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).