2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

C13H15F3N2O2 — CID 18147826

IUPAC2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc[nH]c1=O
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h2,5-6,8-9H,1,3-4,7H2,(H,17,19)(H,18,20)
InChIKeyNOHOKYVVOQJMNQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.23
Rot. Bonds2

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

2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 18147826) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID18147826
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc[nH]c1=O
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h2,5-6,8-9H,1,3-4,7H2,(H,17,19)(H,18,20)
InChIKeyNOHOKYVVOQJMNQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.23
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
6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 18147795
N-(2-methylcyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24243490
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608409
N-[(1S,2R)-2-methylcyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32370570
N-[(1S,2S)-2-methylcyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32370584
N-[(1R,2R)-2-methylcyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32370590
N-[(1R,2S)-2-methylcyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32370597

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 18147826) is 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is NOHOKYVVOQJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h2,5-6,8-9H,1,3-4,7H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18147826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).