2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid

C12H10N2O3S — CID 66353771

IUPAC2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccsc2)ccc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-9(12(16)17)2-3-10(13-7)11(15)14-8-4-5-18-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyXNQMOYFMNJVSBP-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid

2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 66353771) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID66353771
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccsc2)ccc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-9(12(16)17)2-3-10(13-7)11(15)14-8-4-5-18-6-8/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyXNQMOYFMNJVSBP-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
2-methyl-6-(pyrazin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43616230
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid (CID 66353771) is 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2ccsc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is XNQMOYFMNJVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-9(12(16)17)2-3-10(13-7)11(15)14-8-4-5-18-6-8/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid?
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 66353771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).