2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

C14H15NO3S — CID 75499844

IUPAC2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OCCc2cccs2)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-9-8-10(2)15-13(16)12(9)14(17)18-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCGQMSTFDJDPVOP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.45
Rot. Bonds4

About 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 75499844) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID75499844
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OCCc2cccs2)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-9-8-10(2)15-13(16)12(9)14(17)18-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCGQMSTFDJDPVOP-UHFFFAOYSA-N
XLogP2.45
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
1,3-benzothiazol-2-ylmethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 75413647
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
2-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
CID 78960520
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
N-(2-methoxyethoxy)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79676518
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (CID 75499844) is 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is Cc1cc(C)c(C(=O)OCCc2cccs2)c(=O)[nH]1.
What is the InChIKey of 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is CGQMSTFDJDPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-8-10(2)15-13(16)12(9)14(17)18-6-5-11-4-3-7-19-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 75499844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).