6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid

C13H12N2O3S — CID 54433636

IUPAC6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCc1sccc1CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O3S/c1-8-9(4-5-19-8)6-12(16)15-11-3-2-10(7-14-11)13(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWJFRQFOBGBJYJY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid

6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 54433636) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID54433636
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCc1sccc1CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O3S/c1-8-9(4-5-19-8)6-12(16)15-11-3-2-10(7-14-11)13(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyWJFRQFOBGBJYJY-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

Analyze 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277
6-[(3-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 22099827
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
6-[[2-(2-methylthiolan-3-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 57248676
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
CID 61320227
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 55214702
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid (CID 54433636) is 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid is Cc1sccc1CC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is WJFRQFOBGBJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-9(4-5-19-8)6-12(16)15-11-3-2-10(7-14-11)13(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid?
6-[[2-(2-methylthiophen-3-yl)acetyl]amino]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-[[2-(2-methylthiophen-3-yl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 54433636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).