6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid

C13H12N2O3S — CID 62845141

IUPAC6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)cn1)c1ccsc1
InChIInChI=1S/C13H12N2O3S/c1-8(10-4-5-19-7-10)15-12(16)11-3-2-9(6-14-11)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyCFZJJGWRFMQEBC-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid

6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 62845141) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID62845141
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)cn1)c1ccsc1
InChIInChI=1S/C13H12N2O3S/c1-8(10-4-5-19-7-10)15-12(16)11-3-2-9(6-14-11)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyCFZJJGWRFMQEBC-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 167743576
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598

Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid (CID 62845141) is 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)cn1)c1ccsc1.
What is the InChIKey of 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is CFZJJGWRFMQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8(10-4-5-19-7-10)15-12(16)11-3-2-9(6-14-11)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid?
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62845141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).