N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C15H19F3N2O2 — CID 138058185

IUPACN-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-9(10-5-3-2-4-6-10)19-14(22)12-8-7-11(13(21)20-12)15(16,17)18/h7-10H,2-6H2,1H3,(H,19,22)(H,20,21)
InChIKeyLSVVMSHNASCXQL-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.09
Rot. Bonds3

About N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 138058185) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID138058185
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-9(10-5-3-2-4-6-10)19-14(22)12-8-7-11(13(21)20-12)15(16,17)18/h7-10H,2-6H2,1H3,(H,19,22)(H,20,21)
InChIKeyLSVVMSHNASCXQL-UHFFFAOYSA-N
XLogP3.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 138058185) is N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is CC(NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is LSVVMSHNASCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9(10-5-3-2-4-6-10)19-14(22)12-8-7-11(13(21)20-12)15(16,17)18/h7-10H,2-6H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).