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

C15H21NO3 — CID 90424422

IUPAC3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cccc(CCCC2CCCCC2)c1=O
InChIInChI=1S/C15H21NO3/c17-14-13(10-5-11-16(14)15(18)19)9-4-8-12-6-2-1-3-7-12/h5,10-12H,1-4,6-9H2,(H,18,19)
InChIKeyCNLPGRTZGVYSEF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.28
Rot. Bonds4

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

3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid (PubChem CID 90424422) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
PubChem CID90424422
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cccc(CCCC2CCCCC2)c1=O
InChIInChI=1S/C15H21NO3/c17-14-13(10-5-11-16(14)15(18)19)9-4-8-12-6-2-1-3-7-12/h5,10-12H,1-4,6-9H2,(H,18,19)
InChIKeyCNLPGRTZGVYSEF-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid (CID 90424422) is 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid is O=C(O)n1cccc(CCCC2CCCCC2)c1=O.
What is the InChIKey of 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
The InChIKey is CNLPGRTZGVYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-13(10-5-11-16(14)15(18)19)9-4-8-12-6-2-1-3-7-12/h5,10-12H,1-4,6-9H2,(H,18,19).
What are the key properties of 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid?
3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylpropyl)-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90424422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).