3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid

C14H19NO5 — CID 83040947

IUPAC3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
SMILESCCCC(Oc1ccc(C)nc1C(=O)O)C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-6-11(14(18)19-5-2)20-10-8-7-9(3)15-12(10)13(16)17/h7-8,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyKTOIKIOOTBYTJO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.20
Rot. Bonds7

About 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid

3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid (PubChem CID 83040947) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
PubChem CID83040947
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
SMILESCCCC(Oc1ccc(C)nc1C(=O)O)C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-6-11(14(18)19-5-2)20-10-8-7-9(3)15-12(10)13(16)17/h7-8,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyKTOIKIOOTBYTJO-UHFFFAOYSA-N
XLogP2.20
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83040752
3-(1-cyanopropoxy)-6-methylpyridine-2-carboxylic acid
CID 79156849
2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83049348
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
CID 79168999
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
CID 83037159
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid (CID 83040947) is 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid is CCCC(Oc1ccc(C)nc1C(=O)O)C(=O)OCC.
What is the InChIKey of 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid?
The InChIKey is KTOIKIOOTBYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-6-11(14(18)19-5-2)20-10-8-7-9(3)15-12(10)13(16)17/h7-8,11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid?
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 83040947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).