N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H15F3N2O3 — CID 104957150

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)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)/t8-,9-/m0/s1
InChIKeyKXZNPSVENQMKAJ-IUCAKERBSA-N
MW304.27 g/mol
LogP1.43
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 104957150) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID104957150
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)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)/t8-,9-/m0/s1
InChIKeyKXZNPSVENQMKAJ-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 104957150) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KXZNPSVENQMKAJ-IUCAKERBSA-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)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(1S,2S)-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-[(1S,2S)-2-hydroxycyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).