2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid

C13H12N2O3S — CID 67762956

IUPAC2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid
SMILESCc1sccc1CC(=O)c1ccnc(N)c1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-7-8(3-5-19-7)6-10(16)9-2-4-15-12(14)11(9)13(17)18/h2-5H,6H2,1H3,(H2,14,15)(H,17,18)
InChIKeyWBDVBHNSOGJGKV-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid

2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid (PubChem CID 67762956) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid
PubChem CID67762956
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid
SMILESCc1sccc1CC(=O)c1ccnc(N)c1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-7-8(3-5-19-7)6-10(16)9-2-4-15-12(14)11(9)13(17)18/h2-5H,6H2,1H3,(H2,14,15)(H,17,18)
InChIKeyWBDVBHNSOGJGKV-UHFFFAOYSA-N
XLogP2.16
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid (CID 67762956) is 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid is Cc1sccc1CC(=O)c1ccnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid?
The InChIKey is WBDVBHNSOGJGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-8(3-5-19-7)6-10(16)9-2-4-15-12(14)11(9)13(17)18/h2-5H,6H2,1H3,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid?
2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-methylthiophen-3-yl)acetyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67762956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).