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

C18H15NO4 — CID 127050679

IUPAC5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
SMILESCC(c1cccc2ccccc12)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C18H15NO4/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)19-9-15(18(22)23)17(21)16(20)10-19/h2-11,20H,1H3,(H,22,23)
InChIKeyIYFXNPPBIYQGME-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.01
Rot. Bonds3

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

5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 127050679) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
PubChem CID127050679
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid
SMILESCC(c1cccc2ccccc12)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C18H15NO4/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)19-9-15(18(22)23)17(21)16(20)10-19/h2-11,20H,1H3,(H,22,23)
InChIKeyIYFXNPPBIYQGME-UHFFFAOYSA-N
XLogP3.01
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 136590204
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
CID 154144865
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
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1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid (CID 127050679) is 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid is CC(c1cccc2ccccc12)n1cc(O)c(=O)c(C(=O)O)c1.
What is the InChIKey of 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is IYFXNPPBIYQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)19-9-15(18(22)23)17(21)16(20)10-19/h2-11,20H,1H3,(H,22,23).
What are the key properties of 5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-(1-naphthalen-1-ylethyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.01, 3 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-1-ylethyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127050679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).