2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid

C13H14N2O2S — CID 81053456

IUPAC2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccsc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H14N2O2S/c1-8-5-11(12(13(16)17)9(2)15-8)14-6-10-3-4-18-7-10/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCXTLVFUEMJVQLW-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.07
Rot. Bonds4

About 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81053456) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81053456
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccsc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H14N2O2S/c1-8-5-11(12(13(16)17)9(2)15-8)14-6-10-3-4-18-7-10/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCXTLVFUEMJVQLW-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-(thiophen-3-ylmethylamino)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

4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81052352
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 115991759
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114102024
3,4-dimethoxy-5-(thiophen-3-ylmethylamino)benzoic acid
CID 167943258
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553518

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid (CID 81053456) is 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid is Cc1cc(NCc2ccsc2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is CXTLVFUEMJVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-5-11(12(13(16)17)9(2)15-8)14-6-10-3-4-18-7-10/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81053456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).