1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

C10H11F3N2O2S — CID 77095229

IUPAC1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCSC(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O2S/c1-15-5-2-3-7(9(15)17)8(16)14-4-6-18-10(11,12)13/h2-3,5H,4,6H2,1H3,(H,14,16)
InChIKeyXLABECJYQZMFOL-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.37
Rot. Bonds4

About 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (PubChem CID 77095229) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
PubChem CID77095229
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCSC(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O2S/c1-15-5-2-3-7(9(15)17)8(16)14-4-6-18-10(11,12)13/h2-3,5H,4,6H2,1H3,(H,14,16)
InChIKeyXLABECJYQZMFOL-UHFFFAOYSA-N
XLogP1.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (CID 77095229) is 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCCSC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XLABECJYQZMFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-15-5-2-3-7(9(15)17)8(16)14-4-6-18-10(11,12)13/h2-3,5H,4,6H2,1H3,(H,14,16).
What are the key properties of 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 77095229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).