6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid

C15H22N2O4 — CID 119186122

IUPAC6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCC(O)(CCC)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H22N2O4/c1-3-8-15(21,9-4-2)10-16-13(18)11-6-5-7-12(17-11)14(19)20/h5-7,21H,3-4,8-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDJJXYEHKKSXDHL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds8

About 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186122) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119186122
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCC(O)(CCC)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H22N2O4/c1-3-8-15(21,9-4-2)10-16-13(18)11-6-5-7-12(17-11)14(19)20/h5-7,21H,3-4,8-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDJJXYEHKKSXDHL-UHFFFAOYSA-N
XLogP1.84
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
CID 115521722
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
CID 111444821
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
CID 91986542
CID 91986542
6-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 115730327

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid (CID 119186122) is 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid is CCCC(O)(CCC)CNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DJJXYEHKKSXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-8-15(21,9-4-2)10-16-13(18)11-6-5-7-12(17-11)14(19)20/h5-7,21H,3-4,8-10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).