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

C13H15F3N2O3 — CID 62365272

IUPACN-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-7(12(21)18-10)11(20)17-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyKXZNPSVENQMKAJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.43
Rot. Bonds2

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

N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 62365272) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID62365272
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-7(12(21)18-10)11(20)17-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4H2,(H,17,20)(H,18,21)
InChIKeyKXZNPSVENQMKAJ-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

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Related Compounds

N-(4-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394503
3-(3-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43415900
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43421164
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748
N-(5-hydroxypentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 80294557
N-(2-hydroxy-4-methylpentyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103771000
N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103918830
N-[(2R)-1-hydroxybutan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103919724
N-(4-hydroxypentan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 104109233
N-[(1R,2R)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 104927249
N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 104957150

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 62365272) is N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCCCC1O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KXZNPSVENQMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)10-6-5-7(12(21)18-10)11(20)17-8-3-1-2-4-9(8)19/h5-6,8-9,19H,1-4H2,(H,17,20)(H,18,21).
What are the key properties of N-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-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-(2-hydroxycyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62365272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).