5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid

C19H21NO4 — CID 58067672

IUPAC5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCCCC2)cc(O)c1=O
InChIInChI=1S/C19H21NO4/c21-16-12-20(11-15(17(16)22)18(23)24)13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,23,24)
InChIKeyGIUSEVAAALEVME-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.15
Rot. Bonds4

About 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067672) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
PubChem CID58067672
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCCCC2)cc(O)c1=O
InChIInChI=1S/C19H21NO4/c21-16-12-20(11-15(17(16)22)18(23)24)13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,23,24)
InChIKeyGIUSEVAAALEVME-UHFFFAOYSA-N
XLogP3.15
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid (CID 58067672) is 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)CCCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is GIUSEVAAALEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-16-12-20(11-15(17(16)22)18(23)24)13-19(9-5-2-6-10-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,23,24).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).