[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate

C16H16N2O5S — CID 7776253

IUPAC[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc(C)c1C
InChIInChI=1S/C16H16N2O5S/c1-9-10(2)24-14(13(9)16(21)22-3)18-12(19)8-23-15(20)11-6-4-5-7-17-11/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyXJTZEFTYSQBGFA-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.34
Rot. Bonds5

About [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7776253) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7776253
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc(C)c1C
InChIInChI=1S/C16H16N2O5S/c1-9-10(2)24-14(13(9)16(21)22-3)18-12(19)8-23-15(20)11-6-4-5-7-17-11/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyXJTZEFTYSQBGFA-UHFFFAOYSA-N
XLogP2.34
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate with MolForge

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Related Compounds

Ethyl 4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 1672531
ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10366345
[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2413606
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726
Ethyl 5-acetyl-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 896008
Methyl 5-[(diethylamino)carbonyl]-2-(isonicotinoylamino)-4-methyl-3-thiophenecarboxylate
CID 1293939
Methyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313057
Diethyl 3-methyl-5-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2338868
Diethyl 3-methyl-5-[[2-(pyridin-3-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2340009
[2-[1-(1-Methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2999467
(E)-N-[(1S)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-(2-pyridyl)prop-2-enamide
CID 6478348
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate (CID 7776253) is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate is COC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc(C)c1C.
What is the InChIKey of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is XJTZEFTYSQBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-10(2)24-14(13(9)16(21)22-3)18-12(19)8-23-15(20)11-6-4-5-7-17-11/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7776253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).