1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid

C15H21NO3 — CID 55069510

IUPAC1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid
SMILESCCC(C1CCCCC1)n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H21NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12(15(18)19)8-9-14(16)17/h8-11,13H,2-7H2,1H3,(H,18,19)
InChIKeyIQILEZAUPMDGRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.08
Rot. Bonds4

About 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid

1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 55069510) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid
PubChem CID55069510
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid
SMILESCCC(C1CCCCC1)n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C15H21NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12(15(18)19)8-9-14(16)17/h8-11,13H,2-7H2,1H3,(H,18,19)
InChIKeyIQILEZAUPMDGRV-UHFFFAOYSA-N
XLogP3.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid (CID 55069510) is 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid is CCC(C1CCCCC1)n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is IQILEZAUPMDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13(11-6-4-3-5-7-11)16-10-12(15(18)19)8-9-14(16)17/h8-11,13H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid?
1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 55069510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).