1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid

C14H12N2O4 — CID 29293383

IUPAC1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-12(15-11-4-2-1-3-5-11)9-16-8-10(14(19)20)6-7-13(16)18/h1-8H,9H2,(H,15,17)(H,19,20)
InChIKeyQFXNSALKCCVJFN-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.19
Rot. Bonds4

About 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid

1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 29293383) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID29293383
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-12(15-11-4-2-1-3-5-11)9-16-8-10(14(19)20)6-7-13(16)18/h1-8H,9H2,(H,15,17)(H,19,20)
InChIKeyQFXNSALKCCVJFN-UHFFFAOYSA-N
XLogP1.19
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
CID 71700189
1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 82108011
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
CID 29276110
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
1-[2-(butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54956643
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 71700191
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-tert-butylphenyl)acetamide
CID 82031681
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid (CID 29293383) is 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is QFXNSALKCCVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12(15-11-4-2-1-3-5-11)9-16-8-10(14(19)20)6-7-13(16)18/h1-8H,9H2,(H,15,17)(H,19,20).
What are the key properties of 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid?
1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 29293383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).