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

C11H13F3N2OS — CID 69438762

IUPAC2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H13F3N2OS/c1-7-8(10(17)15-5-6-18-2)3-4-9(16-7)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyFYTWEZGUFUNMDX-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.50
Rot. Bonds4

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

2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69438762) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69438762
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H13F3N2OS/c1-7-8(10(17)15-5-6-18-2)3-4-9(16-7)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,17)
InChIKeyFYTWEZGUFUNMDX-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 69438762) is 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CSCCNC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FYTWEZGUFUNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-8(10(17)15-5-6-18-2)3-4-9(16-7)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69438762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).