N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H15F3N2O3 — CID 43394503

IUPACN-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyGMZPGMWMWVGPTO-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.43
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 43394503) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID43394503
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyGMZPGMWMWVGPTO-UHFFFAOYSA-N
XLogP1.43
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 43394503) is N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCC(O)CC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GMZPGMWMWVGPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-1-3-8(19)4-2-7/h5-8,19H,1-4H2,(H,17,20)(H,18,21).
What are the key properties of N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43394503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).