2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid

C15H20N2O4 — CID 63828189

IUPAC2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H20N2O4/c18-14(13-12(15(19)20)7-4-8-16-13)17-9-10-21-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,18)(H,19,20)
InChIKeyLUXJCQWDIFCLCG-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid

2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63828189) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63828189
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H20N2O4/c18-14(13-12(15(19)20)7-4-8-16-13)17-9-10-21-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,18)(H,19,20)
InChIKeyLUXJCQWDIFCLCG-UHFFFAOYSA-N
XLogP1.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid (CID 63828189) is 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCCOC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is LUXJCQWDIFCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(13-12(15(19)20)7-4-8-16-13)17-9-10-21-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid?
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63828189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).