1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid

C11H15NO4 — CID 44600738

IUPAC1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid
SMILESCOCCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-16-7-3-2-5-12-6-4-9(11(14)15)8-10(12)13/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyFQGJIEJAYNJCNO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.97
Rot. Bonds6

About 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid

1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 44600738) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid
PubChem CID44600738
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid
SMILESCOCCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-16-7-3-2-5-12-6-4-9(11(14)15)8-10(12)13/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyFQGJIEJAYNJCNO-UHFFFAOYSA-N
XLogP0.97
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid (CID 44600738) is 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid is COCCCCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is FQGJIEJAYNJCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-7-3-2-5-12-6-4-9(11(14)15)8-10(12)13/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid?
1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 44600738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).