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

C13H15F3N2O2 — CID 103337029

IUPAC4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1c[nH]ccc1=O
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-12(20)10-7-17-5-4-11(10)19/h4-5,7-9H,1-3,6H2,(H,17,19)(H,18,20)
InChIKeyHLUIISPSVYXNAI-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.23
Rot. Bonds2

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

4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 103337029) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID103337029
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1c[nH]ccc1=O
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-12(20)10-7-17-5-4-11(10)19/h4-5,7-9H,1-3,6H2,(H,17,19)(H,18,20)
InChIKeyHLUIISPSVYXNAI-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

Analyze 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 103386608
6-methyl-4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 103717461
6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 103717462
6-methyl-4-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 103717463
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-4-carboxamide
CID 103763671
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 107358486
4-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 108101225
4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 108101226
4-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridine-3-carboxamide
CID 108101631
4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
CID 18682014
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336820

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 103337029) is 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is HLUIISPSVYXNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-12(20)10-7-17-5-4-11(10)19/h4-5,7-9H,1-3,6H2,(H,17,19)(H,18,20).
What are the key properties of 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
4-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 4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).