1,5-dibutoxy-4-oxopyridine-2-carboxylic acid

C14H21NO5 — CID 67963601

IUPAC1,5-dibutoxy-4-oxopyridine-2-carboxylic acid
SMILESCCCCOc1cn(OCCCC)c(C(=O)O)cc1=O
InChIInChI=1S/C14H21NO5/c1-3-5-7-19-13-10-15(20-8-6-4-2)11(14(17)18)9-12(13)16/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyVEPMDAKVBDLJLN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.95
Rot. Bonds9

About 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid

1,5-dibutoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 67963601) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dibutoxy-4-oxopyridine-2-carboxylic acid
PubChem CID67963601
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1,5-dibutoxy-4-oxopyridine-2-carboxylic acid
SMILESCCCCOc1cn(OCCCC)c(C(=O)O)cc1=O
InChIInChI=1S/C14H21NO5/c1-3-5-7-19-13-10-15(20-8-6-4-2)11(14(17)18)9-12(13)16/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyVEPMDAKVBDLJLN-UHFFFAOYSA-N
XLogP1.95
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.95
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

5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
3-butoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 67471512
1,5-Dibutoxy-2-(hydroxymethyl)pyridin-4-one
CID 67963627
5-Butoxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 67963630
5-Butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
CID 67963664
3-Butoxy-1-(2,2-dimethoxyethyl)-4-oxopyridine-2-carboxylic acid
CID 68225516
3-Butoxy-4-oxo-1-prop-2-enylpyridine-2-carboxylic acid
CID 68225549
2-(3-Butoxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
CID 90075546
3-Butoxy-1-(2,2-dihydroxyethyl)-4-oxopyridine-2-carboxylic acid
CID 118264992
5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid
CID 149118530
[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl]acetic acid
CID 56723801
3-Methoxy-1-methyl-4-oxopyridine-2-carboxylic acid
CID 84658866

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid (CID 67963601) is 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid is CCCCOc1cn(OCCCC)c(C(=O)O)cc1=O.
What is the InChIKey of 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is VEPMDAKVBDLJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-3-5-7-19-13-10-15(20-8-6-4-2)11(14(17)18)9-12(13)16/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid?
1,5-dibutoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 67963601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).