6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid

C15H16N2O3S — CID 80524375

IUPAC6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CNC(=O)c1ccc(C(=O)O)cn1)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-15(2,12-4-3-7-21-12)9-17-13(18)11-6-5-10(8-16-11)14(19)20/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJXDYYQOKSZOVEG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.55
Rot. Bonds5

About 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 80524375) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID80524375
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CNC(=O)c1ccc(C(=O)O)cn1)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-15(2,12-4-3-7-21-12)9-17-13(18)11-6-5-10(8-16-11)14(19)20/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJXDYYQOKSZOVEG-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridazine-3-carboxamide
CID 80527740
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 81245260
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid (CID 80524375) is 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid is CC(C)(CNC(=O)c1ccc(C(=O)O)cn1)c1cccs1.
What is the InChIKey of 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is JXDYYQOKSZOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,12-4-3-7-21-12)9-17-13(18)11-6-5-10(8-16-11)14(19)20/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 80524375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).