1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid

C13H19NO5 — CID 113464125

IUPAC1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
SMILESCOCCOCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C13H19NO5/c1-18-8-9-19-7-3-2-6-14-10-11(13(16)17)4-5-12(14)15/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyCSOJCBHCJYDWKL-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.99
Rot. Bonds9

About 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid

1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 113464125) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
PubChem CID113464125
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
SMILESCOCCOCCCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C13H19NO5/c1-18-8-9-19-7-3-2-6-14-10-11(13(16)17)4-5-12(14)15/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyCSOJCBHCJYDWKL-UHFFFAOYSA-N
XLogP0.99
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
5-amino-1-[3-[3-(2-methoxyethoxy)propoxy]propyl]pyridin-2-one
CID 103401156
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
CID 103410362
6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408909
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
CID 114539880
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid (CID 113464125) is 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid is COCCOCCCCn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is CSOJCBHCJYDWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-8-9-19-7-3-2-6-14-10-11(13(16)17)4-5-12(14)15/h4-5,10H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid?
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 113464125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).