6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid

C15H11F3N2O4 — CID 71700189

IUPAC6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)10-3-1-2-4-11(10)19-12(21)8-20-7-9(14(23)24)5-6-13(20)22/h1-7H,8H2,(H,19,21)(H,23,24)
InChIKeyWPWWANAGRKPBDZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.20
Rot. Bonds4

About 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid

6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid (PubChem CID 71700189) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
PubChem CID71700189
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)10-3-1-2-4-11(10)19-12(21)8-20-7-9(14(23)24)5-6-13(20)22/h1-7H,8H2,(H,19,21)(H,23,24)
InChIKeyWPWWANAGRKPBDZ-UHFFFAOYSA-N
XLogP2.20
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
CID 29293383
2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547623
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 82108011
N-(2-benzylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623886
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547588
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid (CID 71700189) is 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid?
The InChIKey is WPWWANAGRKPBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c16-15(17,18)10-3-1-2-4-11(10)19-12(21)8-20-7-9(14(23)24)5-6-13(20)22/h1-7H,8H2,(H,19,21)(H,23,24).
What are the key properties of 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid?
6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid has a molecular weight of 340.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 71700189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).