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

C14H17F3N2O2 — CID 24608409

IUPACN-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h6-9H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyDKWLTDVZOLTDLZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.70
Rot. Bonds2

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

N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 24608409) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID24608409
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h6-9H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyDKWLTDVZOLTDLZ-UHFFFAOYSA-N
XLogP2.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 24608409) is N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DKWLTDVZOLTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h6-9H,2-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24608409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).