5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid

C22H21NO4 — CID 58067513

IUPAC5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc4ccccc4c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C22H21NO4/c24-19-13-23(12-18(20(19)25)21(26)27)14-22(9-3-4-10-22)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11-13,24H,3-4,9-10,14H2,(H,26,27)
InChIKeyYVWDVMIZXVSQIM-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.92
Rot. Bonds4

About 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067513) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067513
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccc4ccccc4c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C22H21NO4/c24-19-13-23(12-18(20(19)25)21(26)27)14-22(9-3-4-10-22)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11-13,24H,3-4,9-10,14H2,(H,26,27)
InChIKeyYVWDVMIZXVSQIM-UHFFFAOYSA-N
XLogP3.92
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-4-oxo-1-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxylic acid
CID 58067672
5-Hydroxy-4-oxo-1-[(1-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
CID 58067742
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
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
5-Hydroxy-1-(1-naphthylmethyl)-4-oxo-pyridine-3-carboxylic acid
CID 127050678
5-Hydroxy-1-[1-(1-naphthyl)ethyl]-4-oxo-pyridine-3-carboxylic acid
CID 127050679
1-[2-[4-(4-Fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 134151658
1-[(4,4-Difluoro-1-phenylcyclohexyl)methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067633
1-[[1-(4-Fluorophenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067660
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-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid (CID 58067513) is 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccc4ccccc4c3)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is YVWDVMIZXVSQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-19-13-23(12-18(20(19)25)21(26)27)14-22(9-3-4-10-22)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11-13,24H,3-4,9-10,14H2,(H,26,27).
What are the key properties of 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(1-naphthalen-2-ylcyclopentyl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).