2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H13F3N2O3S — CID 71938949

IUPAC2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H13F3N2O3S/c1-7-8(3-4-9(16-7)11(12,13)14)10(17)15-5-6-20(2,18)19/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyOGXYTFXIVROYNM-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.18
Rot. Bonds4

About 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 71938949) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID71938949
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H13F3N2O3S/c1-7-8(3-4-9(16-7)11(12,13)14)10(17)15-5-6-20(2,18)19/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyOGXYTFXIVROYNM-UHFFFAOYSA-N
XLogP1.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 71938949) is 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OGXYTFXIVROYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-8(3-4-9(16-7)11(12,13)14)10(17)15-5-6-20(2,18)19/h3-4H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71938949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).