6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide

C10H11F3N2O2S — CID 113247102

IUPAC6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCSC(F)(F)F)c[nH]1
InChIInChI=1S/C10H11F3N2O2S/c1-6-4-8(16)7(5-15-6)9(17)14-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,17)(H,15,16)
InChIKeyDYZSQWXNICDWFY-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.67
Rot. Bonds4

About 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 113247102) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID113247102
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCSC(F)(F)F)c[nH]1
InChIInChI=1S/C10H11F3N2O2S/c1-6-4-8(16)7(5-15-6)9(17)14-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,17)(H,15,16)
InChIKeyDYZSQWXNICDWFY-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide (CID 113247102) is 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCSC(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is DYZSQWXNICDWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-6-4-8(16)7(5-15-6)9(17)14-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113247102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).