1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C17H16N2O6 — CID 82107940

IUPAC1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCOC(=O)c1cccc(NC(=O)Cn2cccc(C(=O)O)c2=O)c1
InChIInChI=1S/C17H16N2O6/c1-2-25-17(24)11-5-3-6-12(9-11)18-14(20)10-19-8-4-7-13(15(19)21)16(22)23/h3-9H,2,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyWVYNDFHRLIFOOY-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 82107940) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID82107940
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCOC(=O)c1cccc(NC(=O)Cn2cccc(C(=O)O)c2=O)c1
InChIInChI=1S/C17H16N2O6/c1-2-25-17(24)11-5-3-6-12(9-11)18-14(20)10-19-8-4-7-13(15(19)21)16(22)23/h3-9H,2,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyWVYNDFHRLIFOOY-UHFFFAOYSA-N
XLogP1.36
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107997
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107996
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 9228238
ethyl 3-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 98394290
ethyl 3-[[2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 30849651
ethyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate
CID 39945920
ethyl 3-(4-hydroxybutanoylamino)benzoate
CID 79192155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 82107940) is 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CCOC(=O)c1cccc(NC(=O)Cn2cccc(C(=O)O)c2=O)c1.
What is the InChIKey of 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is WVYNDFHRLIFOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-2-25-17(24)11-5-3-6-12(9-11)18-14(20)10-19-8-4-7-13(15(19)21)16(22)23/h3-9H,2,10H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 344.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82107940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).