1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid

C17H27NO3 — CID 12624222

IUPAC1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCc1cn(CC)cc(C(=O)O)c1=O
InChIInChI=1S/C17H27NO3/c1-3-5-6-7-8-9-10-11-14-12-18(4-2)13-15(16(14)19)17(20)21/h12-13H,3-11H2,1-2H3,(H,20,21)
InChIKeyRHAYTDKZGXSHTJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.86
Rot. Bonds10

About 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid

1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid (PubChem CID 12624222) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid
PubChem CID12624222
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid
SMILESCCCCCCCCCc1cn(CC)cc(C(=O)O)c1=O
InChIInChI=1S/C17H27NO3/c1-3-5-6-7-8-9-10-11-14-12-18(4-2)13-15(16(14)19)17(20)21/h12-13H,3-11H2,1-2H3,(H,20,21)
InChIKeyRHAYTDKZGXSHTJ-UHFFFAOYSA-N
XLogP3.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid (CID 12624222) is 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid is CCCCCCCCCc1cn(CC)cc(C(=O)O)c1=O.
What is the InChIKey of 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is RHAYTDKZGXSHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-5-6-7-8-9-10-11-14-12-18(4-2)13-15(16(14)19)17(20)21/h12-13H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid?
1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 12624222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).