1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

C11H13F3N2O2S — CID 77080610

IUPAC1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCSC(F)(F)F)cc1=O
InChIInChI=1S/C11H13F3N2O2S/c1-2-16-5-3-8(7-9(16)17)10(18)15-4-6-19-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,18)
InChIKeyRRIPFUYUBKBUGQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.85
Rot. Bonds5

About 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (PubChem CID 77080610) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
PubChem CID77080610
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCSC(F)(F)F)cc1=O
InChIInChI=1S/C11H13F3N2O2S/c1-2-16-5-3-8(7-9(16)17)10(18)15-4-6-19-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,18)
InChIKeyRRIPFUYUBKBUGQ-UHFFFAOYSA-N
XLogP1.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.85
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-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (CID 77080610) is 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is CCn1ccc(C(=O)NCCSC(F)(F)F)cc1=O.
What is the InChIKey of 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The InChIKey is RRIPFUYUBKBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-2-16-5-3-8(7-9(16)17)10(18)15-4-6-19-11(12,13)14/h3,5,7H,2,4,6H2,1H3,(H,15,18).
What are the key properties of 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 77080610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).