1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

C23H31NO5 — CID 70690695

IUPAC1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1
InChIInChI=1S/C23H31NO5/c1-2-3-4-5-6-7-8-9-15-29-19-12-10-11-18(16-19)17-24-14-13-20(25)21(22(24)26)23(27)28/h10-14,16,25H,2-9,15,17H2,1H3,(H,27,28)
InChIKeyGUODRJBQCSNTCX-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.82
Rot. Bonds13

About 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid

1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (PubChem CID 70690695) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
PubChem CID70690695
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1
InChIInChI=1S/C23H31NO5/c1-2-3-4-5-6-7-8-9-15-29-19-12-10-11-18(16-19)17-24-14-13-20(25)21(22(24)26)23(27)28/h10-14,16,25H,2-9,15,17H2,1H3,(H,27,28)
InChIKeyGUODRJBQCSNTCX-UHFFFAOYSA-N
XLogP4.82
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid (CID 70690695) is 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is CCCCCCCCCCOc1cccc(Cn2ccc(O)c(C(=O)O)c2=O)c1.
What is the InChIKey of 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is GUODRJBQCSNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-2-3-4-5-6-7-8-9-15-29-19-12-10-11-18(16-19)17-24-14-13-20(25)21(22(24)26)23(27)28/h10-14,16,25H,2-9,15,17H2,1H3,(H,27,28).
What are the key properties of 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid?
1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 401.50 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-decoxyphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 70690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).