[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C13H12N2O4S — CID 3974129

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCc1cccs1
InChIInChI=1S/C13H12N2O4S/c16-11(15-7-9-3-2-6-20-9)8-19-13(18)10-4-1-5-14-12(10)17/h1-6H,7-8H2,(H,14,17)(H,15,16)
InChIKeyZXUTUCAPBYKFGF-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.91
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 3974129) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID3974129
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCc1cccs1
InChIInChI=1S/C13H12N2O4S/c16-11(15-7-9-3-2-6-20-9)8-19-13(18)10-4-1-5-14-12(10)17/h1-6H,7-8H2,(H,14,17)(H,15,16)
InChIKeyZXUTUCAPBYKFGF-UHFFFAOYSA-N
XLogP0.91
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 3974129) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZXUTUCAPBYKFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-11(15-7-9-3-2-6-20-9)8-19-13(18)10-4-1-5-14-12(10)17/h1-6H,7-8H2,(H,14,17)(H,15,16).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3974129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).