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

C21H23F3N2O2 — CID 155464238

IUPACN-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)26-20(28)16-11-12-17(21(22,23)24)25-19(16)27/h7-12,14,18H,2-6H2,1H3,(H,25,27)(H,26,28)
InChIKeyKZNDRPVEAKPLDN-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.75
Rot. Bonds4

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

N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464238) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464238
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)26-20(28)16-11-12-17(21(22,23)24)25-19(16)27/h7-12,14,18H,2-6H2,1H3,(H,25,27)(H,26,28)
InChIKeyKZNDRPVEAKPLDN-UHFFFAOYSA-N
XLogP4.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464238) is N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C2CCCCC2)cc1.
What is the InChIKey of N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KZNDRPVEAKPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)26-20(28)16-11-12-17(21(22,23)24)25-19(16)27/h7-12,14,18H,2-6H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).