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

C13H12N2O3S — CID 2693083

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1cccs1
InChIInChI=1S/C13H12N2O3S/c16-12(15-8-10-4-3-7-19-10)9-18-13(17)11-5-1-2-6-14-11/h1-7H,8-9H2,(H,15,16)
InChIKeyTWYOPOUEAZWHPV-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.62
Rot. Bonds5

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate (PubChem CID 2693083) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
PubChem CID2693083
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1cccs1
InChIInChI=1S/C13H12N2O3S/c16-12(15-8-10-4-3-7-19-10)9-18-13(17)11-5-1-2-6-14-11/h1-7H,8-9H2,(H,15,16)
InChIKeyTWYOPOUEAZWHPV-UHFFFAOYSA-N
XLogP1.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(Pyridin-3-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
CID 649732
Thiophene-2-carboxylic acid pyridin-2-yl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 652279
Pyridine-2-carboxylic acid cyclohexylcarbamoylmethyl ester
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2-Pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
CID 3304102
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 5024664
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315
[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2680607
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
2-Oxo-2-((thiophen-2-ylmethyl)amino)ethyl 2-(methylthio)nicotinate
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Methyl 3-({[(2-pyridin-2-ylethyl)thio]acetyl}amino)thiophene-2-carboxylate
CID 4394906

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate (CID 2693083) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate?
The InChIKey is TWYOPOUEAZWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12(15-8-10-4-3-7-19-10)9-18-13(17)11-5-1-2-6-14-11/h1-7H,8-9H2,(H,15,16).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).