6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid

C13H12N2O3S — CID 43427327

IUPAC6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2cccs2)nc1
InChIInChI=1S/C13H12N2O3S/c16-12(14-6-5-10-2-1-7-19-10)11-4-3-9(8-15-11)13(17)18/h1-4,7-8H,5-6H2,(H,14,16)(H,17,18)
InChIKeyJRTPBYBWFPFSKF-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.81
Rot. Bonds5

About 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid

6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 43427327) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID43427327
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2cccs2)nc1
InChIInChI=1S/C13H12N2O3S/c16-12(14-6-5-10-2-1-7-19-10)11-4-3-9(8-15-11)13(17)18/h1-4,7-8H,5-6H2,(H,14,16)(H,17,18)
InChIKeyJRTPBYBWFPFSKF-UHFFFAOYSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 80524375
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207

Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid (CID 43427327) is 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)NCCc2cccs2)nc1.
What is the InChIKey of 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is JRTPBYBWFPFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12(14-6-5-10-2-1-7-19-10)11-4-3-9(8-15-11)13(17)18/h1-4,7-8H,5-6H2,(H,14,16)(H,17,18).
What are the key properties of 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid?
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43427327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).