5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid

C17H13NO4 — CID 127050678

IUPAC5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc3ccccc23)cc(O)c1=O
InChIInChI=1S/C17H13NO4/c19-15-10-18(9-14(16(15)20)17(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,9-10,19H,8H2,(H,21,22)
InChIKeyMKSYNRRAGHACRM-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.45
Rot. Bonds3

About 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 127050678) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
PubChem CID127050678
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc3ccccc23)cc(O)c1=O
InChIInChI=1S/C17H13NO4/c19-15-10-18(9-14(16(15)20)17(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,9-10,19H,8H2,(H,21,22)
InChIKeyMKSYNRRAGHACRM-UHFFFAOYSA-N
XLogP2.45
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 58067513
5-Hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
CID 58067672
5-Hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067514
5-Hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 58067669
1-Benzyl-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067708
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067778
5-Hydroxy-1-[1-(1-naphthyl)ethyl]-4-oxo-pyridine-3-carboxylic acid
CID 127050679
1-[[4-[4-(Aminomethyl)phenyl]phenyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 127050992
1-[(4-Fluoro-3-methylphenyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 127051511
1-[2-[4-(4-Fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 134151658
5-Hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 127051886
5-hydroxy-4-oxo-1-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 58067676

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid (CID 127050678) is 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2cccc3ccccc23)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is MKSYNRRAGHACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-15-10-18(9-14(16(15)20)17(21)22)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,9-10,19H,8H2,(H,21,22).
What are the key properties of 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127050678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).