3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid

C15H21NO3 — CID 90424420

IUPAC3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
SMILESCCC(c1cccn(C(=O)O)c1=O)C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-16(14(13)17)15(18)19/h6,9-12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyXRSXQSKYWTUGKW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.45
Rot. Bonds3

About 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid

3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid (PubChem CID 90424420) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
PubChem CID90424420
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
SMILESCCC(c1cccn(C(=O)O)c1=O)C1CCCCC1
InChIInChI=1S/C15H21NO3/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-16(14(13)17)15(18)19/h6,9-12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyXRSXQSKYWTUGKW-UHFFFAOYSA-N
XLogP3.45
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid (CID 90424420) is 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid is CCC(c1cccn(C(=O)O)c1=O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The InChIKey is XRSXQSKYWTUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12(11-7-4-3-5-8-11)13-9-6-10-16(14(13)17)15(18)19/h6,9-12H,2-5,7-8H2,1H3,(H,18,19).
What are the key properties of 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90424420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).