4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid

C13H12N2O3S — CID 113352919

IUPAC4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccsc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H12N2O3S/c16-12(15-4-1-9-3-6-19-8-9)10-2-5-14-11(7-10)13(17)18/h2-3,5-8H,1,4H2,(H,15,16)(H,17,18)
InChIKeyQTSYQBLARWHHAE-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.81
Rot. Bonds5

About 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid

4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113352919) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113352919
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccsc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H12N2O3S/c16-12(15-4-1-9-3-6-19-8-9)10-2-5-14-11(7-10)13(17)18/h2-3,5-8H,1,4H2,(H,15,16)(H,17,18)
InChIKeyQTSYQBLARWHHAE-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

4-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62249508
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 114244362
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid (CID 113352919) is 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCCc1ccsc1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is QTSYQBLARWHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12(15-4-1-9-3-6-19-8-9)10-2-5-14-11(7-10)13(17)18/h2-3,5-8H,1,4H2,(H,15,16)(H,17,18).
What are the key properties of 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid?
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-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 4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).