2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H16F6N2O2 — CID 155464559

IUPAC2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H16F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-11,18H,12H2,(H,29,31)(H,30,32)
InChIKeyMWEZFDXXWNXSEZ-UHFFFAOYSA-N
MW454.37 g/mol
LogP5.02
Rot. Bonds5

About 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464559) has the molecular formula C22H16F6N2O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464559
Molecular FormulaC22H16F6N2O2
Molecular Weight454.37 g/mol
Exact Mass454.11
IUPAC Name2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C22H16F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-11,18H,12H2,(H,29,31)(H,30,32)
InChIKeyMWEZFDXXWNXSEZ-UHFFFAOYSA-N
XLogP5.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.37
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-4-(1-phenylethyl)benzamide
CID 89581602
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 70693582
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983688
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718847
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472
N-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3716222
1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2-(dimethylamino)ethyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3780154
1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3829837

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464559) is 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(CC(F)(F)F)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MWEZFDXXWNXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O2/c23-21(24,25)12-13-6-8-15(9-7-13)18(14-4-2-1-3-5-14)30-20(32)16-10-11-17(22(26,27)28)29-19(16)31/h1-11,18H,12H2,(H,29,31)(H,30,32).
What are the key properties of 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 454.37 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).