2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid

C15H16N2O4 — CID 22064713

IUPAC2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)n1cccc(Nc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O4/c1-2-21-14(15(19)20)17-10-6-9-12(13(17)18)16-11-7-4-3-5-8-11/h3-10,14,16H,2H2,1H3,(H,19,20)
InChIKeyWJJKFDRKMUQXNJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.21
Rot. Bonds6

About 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid

2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid (PubChem CID 22064713) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid
PubChem CID22064713
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)n1cccc(Nc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O4/c1-2-21-14(15(19)20)17-10-6-9-12(13(17)18)16-11-7-4-3-5-8-11/h3-10,14,16H,2H2,1H3,(H,19,20)
InChIKeyWJJKFDRKMUQXNJ-UHFFFAOYSA-N
XLogP2.21
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-amino-1H-indazol-6-yl)methyl]-2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetamide
CID 11350961
2-(3-anilino-2-oxo-1-pyridinyl)-N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]-2-ethoxyacetamide
CID 11226076
(2S)-2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxy-N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]acetamide
CID 173196491
2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxy-N-[[3-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]acetamide
CID 11316953
N-[[2-(2-amino-2-oxoethoxy)-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetamide
CID 72758784
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
CID 18469031
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
2-(4-ethoxyanilino)benzoic acid
CID 15247418

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid?
The IUPAC name of 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid (CID 22064713) is 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid.
What is the SMILES notation for 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid?
The canonical SMILES for 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid is CCOC(C(=O)O)n1cccc(Nc2ccccc2)c1=O.
What is the InChIKey of 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid?
The InChIKey is WJJKFDRKMUQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-21-14(15(19)20)17-10-6-9-12(13(17)18)16-11-7-4-3-5-8-11/h3-10,14,16H,2H2,1H3,(H,19,20).
What are the key properties of 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid?
2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid has a molecular weight of 288.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-2-oxo-1-pyridinyl)-2-ethoxyacetic acid is sourced from PubChem (CID 22064713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).