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

C18H19NO4 — CID 58067745

IUPAC5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCCC2)cc(O)c1=O
InChIInChI=1S/C18H19NO4/c20-15-11-19(10-14(16(15)21)17(22)23)12-18(8-4-5-9-18)13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2,(H,22,23)
InChIKeyZHLFMKMLWYSIKM-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.76
Rot. Bonds4

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

5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid (PubChem CID 58067745) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
PubChem CID58067745
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2(c3ccccc3)CCCC2)cc(O)c1=O
InChIInChI=1S/C18H19NO4/c20-15-11-19(10-14(16(15)21)17(22)23)12-18(8-4-5-9-18)13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2,(H,22,23)
InChIKeyZHLFMKMLWYSIKM-UHFFFAOYSA-N
XLogP2.76
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.76
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-phenylcyclobutyl)methyl]pyridine-3-carboxylic acid
CID 58067742
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-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid (CID 58067745) is 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2(c3ccccc3)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is ZHLFMKMLWYSIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-15-11-19(10-14(16(15)21)17(22)23)12-18(8-4-5-9-18)13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2,(H,22,23).
What are the key properties of 5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 2.76, 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-phenylcyclopentyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).