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

C17H17NO4 — CID 58067742

IUPAC5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCC2)cc(O)c1=O
InChIInChI=1S/C17H17NO4/c19-14-10-18(9-13(15(14)20)16(21)22)11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8,11H2,(H,21,22)
InChIKeyJYWZAAITKAELMG-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.37
Rot. Bonds4

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

5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067742) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
PubChem CID58067742
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCC2)cc(O)c1=O
InChIInChI=1S/C17H17NO4/c19-14-10-18(9-13(15(14)20)16(21)22)11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8,11H2,(H,21,22)
InChIKeyJYWZAAITKAELMG-UHFFFAOYSA-N
XLogP2.37
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 58067513
5-Hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 58067537
5-Hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
CID 58067672
5-Hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 58067745
5-Hydroxy-4-oxo-1-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxylic acid
CID 58067757
1-[[1-(4-Chlorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 68068963
1-[[1-(2-Chlorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 68069106
1-[[1-(3-Chlorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 68082501
5-Hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067514
5-Hydroxy-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 58067648
5-Hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
CID 58067661
5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067669

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid (CID 58067742) is 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)CCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is JYWZAAITKAELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-14-10-18(9-13(15(14)20)16(21)22)11-17(7-4-8-17)12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8,11H2,(H,21,22).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.37, 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-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).