N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H21F3N2O2 — CID 155464803

IUPACN-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21F3N2O2/c1-3-15-6-10-17(11-7-15)20(16-8-4-14(2)5-9-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQUHPMBKTXWKTBR-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.78
Rot. Bonds5

About N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464803) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464803
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21F3N2O2/c1-3-15-6-10-17(11-7-15)20(16-8-4-14(2)5-9-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQUHPMBKTXWKTBR-UHFFFAOYSA-N
XLogP4.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.78
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-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660103
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
n3-(Cyclohexyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820013
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
5-N-cyclopropyl-3-N-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 135323775
1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 135341830

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464803) is N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QUHPMBKTXWKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-3-15-6-10-17(11-7-15)20(16-8-4-14(2)5-9-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h4-13,20H,3H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).