3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid

C12H10N2O3S — CID 104739616

IUPAC3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccsc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c15-10(6-8-3-5-18-7-8)14-9-2-1-4-13-11(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17)
InChIKeyAEJLBJHYIMNYQX-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.02
Rot. Bonds4

About 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid

3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid (PubChem CID 104739616) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
PubChem CID104739616
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccsc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c15-10(6-8-3-5-18-7-8)14-9-2-1-4-13-11(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17)
InChIKeyAEJLBJHYIMNYQX-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63069142
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
N-pyrazin-2-yl-2-thiophen-3-ylacetamide
CID 137320950
N-(2-sulfamoylphenyl)-2-thiophen-3-ylacetamide
CID 61129954
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid (CID 104739616) is 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid is O=C(Cc1ccsc1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid?
The InChIKey is AEJLBJHYIMNYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-10(6-8-3-5-18-7-8)14-9-2-1-4-13-11(9)12(16)17/h1-5,7H,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid?
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).