2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H21F3N2O3 — CID 155464251

IUPAC2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-11,18,21H,12-14H2,(H,28,30)(H,29,31)
InChIKeyZIJYUMRNMBBMLQ-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.42
Rot. Bonds5

About 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464251) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464251
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-11,18,21H,12-14H2,(H,28,30)(H,29,31)
InChIKeyZIJYUMRNMBBMLQ-UHFFFAOYSA-N
XLogP4.42
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42940979
N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464238
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464240
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464246
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464292
2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464357
N-[(4-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464412
2-oxo-N-[phenyl-(4-prop-1-en-2-ylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464415
N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464422
N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464425
2-oxo-N-[phenyl-[4-[(E)-prop-1-enyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464428

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464251) is 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZIJYUMRNMBBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-11,18,21H,12-14H2,(H,28,30)(H,29,31).
What are the key properties of 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).