5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid

C12H12N2O2S — CID 115490786

IUPAC5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccsc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H12N2O2S/c1-14(7-9-4-5-17-8-9)10-2-3-11(12(15)16)13-6-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyHXCLRCUXSAQPBM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.48
Rot. Bonds4

About 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid

5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490786) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
PubChem CID115490786
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccsc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H12N2O2S/c1-14(7-9-4-5-17-8-9)10-2-3-11(12(15)16)13-6-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyHXCLRCUXSAQPBM-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-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-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 129414965
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 83126332
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
CID 62134695

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid (CID 115490786) is 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid is CN(Cc1ccsc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is HXCLRCUXSAQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14(7-9-4-5-17-8-9)10-2-3-11(12(15)16)13-6-10/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid?
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).