2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C10H12F3N3O2S — CID 106425307

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)19-4-3-15-8(17)6-16-5-7(14)1-2-9(16)18/h1-2,5H,3-4,6,14H2,(H,15,17)
InChIKeyMKSOMRRQTKCDMC-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.80
Rot. Bonds5

About 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 106425307) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID106425307
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)19-4-3-15-8(17)6-16-5-7(14)1-2-9(16)18/h1-2,5H,3-4,6,14H2,(H,15,17)
InChIKeyMKSOMRRQTKCDMC-UHFFFAOYSA-N
XLogP0.80
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 106425307) is 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is Nc1ccc(=O)n(CC(=O)NCCSC(F)(F)F)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is MKSOMRRQTKCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)19-4-3-15-8(17)6-16-5-7(14)1-2-9(16)18/h1-2,5H,3-4,6,14H2,(H,15,17).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 295.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 106425307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).