[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C17H16N2O6 — CID 2423105

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H16N2O6/c1-2-24-16(22)11-6-3-4-8-13(11)19-14(20)10-25-17(23)12-7-5-9-18-15(12)21/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHMCMDMXLTGJOFD-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.35
Rot. Bonds6

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2423105) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2423105
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H16N2O6/c1-2-24-16(22)11-6-3-4-8-13(11)19-14(20)10-25-17(23)12-7-5-9-18-15(12)21/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHMCMDMXLTGJOFD-UHFFFAOYSA-N
XLogP1.35
TPSA114.56 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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786611
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2373487
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786481
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786352
ethyl 2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7251533
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2423105) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HMCMDMXLTGJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-2-24-16(22)11-6-3-4-8-13(11)19-14(20)10-25-17(23)12-7-5-9-18-15(12)21/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2423105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).