4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

C8H7F3N2O2 — CID 72726621

IUPAC4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCC1=CC(C(F)(F)F)=NC(=O)C1C(N)=O
InChIInChI=1S/C8H7F3N2O2/c1-3-2-4(8(9,10)11)13-7(15)5(3)6(12)14/h2,5H,1H3,(H2,12,14)
InChIKeyFFYRKMHNARNPSA-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.58
Rot. Bonds1

About 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 72726621) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID72726621
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCC1=CC(C(F)(F)F)=NC(=O)C1C(N)=O
InChIInChI=1S/C8H7F3N2O2/c1-3-2-4(8(9,10)11)13-7(15)5(3)6(12)14/h2,5H,1H3,(H2,12,14)
InChIKeyFFYRKMHNARNPSA-UHFFFAOYSA-N
XLogP0.58
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 72726621) is 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is CC1=CC(C(F)(F)F)=NC(=O)C1C(N)=O.
What is the InChIKey of 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is FFYRKMHNARNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-3-2-4(8(9,10)11)13-7(15)5(3)6(12)14/h2,5H,1H3,(H2,12,14).
What are the key properties of 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 72726621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).