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

C24H21F3N2O2 — CID 155464425

IUPACN-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)20-14-13-19(22(30)28-20)23(31)29-21(17-5-2-1-3-6-17)18-11-9-16(10-12-18)15-7-4-8-15/h1-3,5-6,9-15,21H,4,7-8H2,(H,28,30)(H,29,31)
InChIKeyYWDGXIVQKBRCCO-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.18
Rot. Bonds5

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

N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464425) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464425
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)20-14-13-19(22(30)28-20)23(31)29-21(17-5-2-1-3-6-17)18-11-9-16(10-12-18)15-7-4-8-15/h1-3,5-6,9-15,21H,4,7-8H2,(H,28,30)(H,29,31)
InChIKeyYWDGXIVQKBRCCO-UHFFFAOYSA-N
XLogP5.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.18
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
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983688
N-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3716222
1-benzyl-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 48131648
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 60145527
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 76310495
N-cycloheptyl-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 76332298
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenylpyridine-3-carboxamide
CID 76335926
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carboxamide
CID 145956576
N-cycloheptyl-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 162656799

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464425) is N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2CCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YWDGXIVQKBRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c25-24(26,27)20-14-13-19(22(30)28-20)23(31)29-21(17-5-2-1-3-6-17)18-11-9-16(10-12-18)15-7-4-8-15/h1-3,5-6,9-15,21H,4,7-8H2,(H,28,30)(H,29,31).
What are the key properties of N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).