5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid

C18H19NO3 — CID 70608030

IUPAC5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccccc2)c(C2CCCCC2)c1=O
InChIInChI=1S/C18H19NO3/c20-17-14(18(21)22)11-19-16(13-9-5-2-6-10-13)15(17)12-7-3-1-4-8-12/h2,5-6,9-12H,1,3-4,7-8H2,(H,19,20)(H,21,22)
InChIKeyOTKZJYBBAOBCLL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.79
Rot. Bonds3

About 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid

5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid (PubChem CID 70608030) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
PubChem CID70608030
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccccc2)c(C2CCCCC2)c1=O
InChIInChI=1S/C18H19NO3/c20-17-14(18(21)22)11-19-16(13-9-5-2-6-10-13)15(17)12-7-3-1-4-8-12/h2,5-6,9-12H,1,3-4,7-8H2,(H,19,20)(H,21,22)
InChIKeyOTKZJYBBAOBCLL-UHFFFAOYSA-N
XLogP3.79
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexylcyclohexane;2-hydroxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid (CID 70608030) is 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(-c2ccccc2)c(C2CCCCC2)c1=O.
What is the InChIKey of 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is OTKZJYBBAOBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17-14(18(21)22)11-19-16(13-9-5-2-6-10-13)15(17)12-7-3-1-4-8-12/h2,5-6,9-12H,1,3-4,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid?
5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-oxo-6-phenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70608030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).