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

C13H12N2O3S — CID 63615237

IUPAC2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccsc1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-15(7-9-4-6-19-8-9)12(16)11-10(13(17)18)3-2-5-14-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyBTDKGCCIAVSLMT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.11
Rot. Bonds4

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

2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615237) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63615237
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1ccsc1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-15(7-9-4-6-19-8-9)12(16)11-10(13(17)18)3-2-5-14-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyBTDKGCCIAVSLMT-UHFFFAOYSA-N
XLogP2.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(thiophen-3-ylmethyl)carbamoyl]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

2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63069142
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
3-bromo-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid
CID 63113712
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 113227301

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid (CID 63615237) is 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid is CN(Cc1ccsc1)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BTDKGCCIAVSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-15(7-9-4-6-19-8-9)12(16)11-10(13(17)18)3-2-5-14-11/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).