6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 113479299

IUPAC6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCC2CCC2)n1
InChIInChI=1S/C13H16N2O3/c16-12(14-8-7-9-3-1-4-9)10-5-2-6-11(15-10)13(17)18/h2,5-6,9H,1,3-4,7-8H2,(H,14,16)(H,17,18)
InChIKeyZWBHRJTYLROGSQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds5

About 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid

6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113479299) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113479299
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCC2CCC2)n1
InChIInChI=1S/C13H16N2O3/c16-12(14-8-7-9-3-1-4-9)10-5-2-6-11(15-10)13(17)18/h2,5-6,9H,1,3-4,7-8H2,(H,14,16)(H,17,18)
InChIKeyZWBHRJTYLROGSQ-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 115116575
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
CID 115521722
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-(2-cyclopropylethyl)pyridazine-3-carboxamide;hydrochloride
CID 141153348
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid (CID 113479299) is 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCC2CCC2)n1.
What is the InChIKey of 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is ZWBHRJTYLROGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(14-8-7-9-3-1-4-9)10-5-2-6-11(15-10)13(17)18/h2,5-6,9H,1,3-4,7-8H2,(H,14,16)(H,17,18).
What are the key properties of 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid?
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113479299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).