N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H17F3N2O2 — CID 47024414

IUPACN-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(7-8)18-12(20)10-5-6-11(14(15,16)17)19-13(10)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCLDOBXMWSXTNLN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.70
Rot. Bonds2

About N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47024414) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47024414
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(7-8)18-12(20)10-5-6-11(14(15,16)17)19-13(10)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCLDOBXMWSXTNLN-UHFFFAOYSA-N
XLogP2.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 76314156
1-butyl-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 76332282
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
1-(4-fluoro-1-methylcyclohexyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 134375286
N-(4-methylcyclohexyl)-2-hydroxypyridine-3-carboxamide
CID 25662858
1-[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17444493
1-[2-[[4-(2-Methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17473029
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 18147826
N-cyclooctyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24605740
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608409
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-[(1S)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044495

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47024414) is N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC1CCCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CLDOBXMWSXTNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(7-8)18-12(20)10-5-6-11(14(15,16)17)19-13(10)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47024414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).