2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid

C14H19NO4 — CID 155552098

IUPAC2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
SMILESCc1cc(C2CCCCC2)n(OCC(=O)O)c(=O)c1
InChIInChI=1S/C14H19NO4/c1-10-7-12(11-5-3-2-4-6-11)15(13(16)8-10)19-9-14(17)18/h7-8,11H,2-6,9H2,1H3,(H,17,18)
InChIKeyWNKHFSWWMUYYDX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds4

About 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid

2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid (PubChem CID 155552098) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
PubChem CID155552098
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
SMILESCc1cc(C2CCCCC2)n(OCC(=O)O)c(=O)c1
InChIInChI=1S/C14H19NO4/c1-10-7-12(11-5-3-2-4-6-11)15(13(16)8-10)19-9-14(17)18/h7-8,11H,2-6,9H2,1H3,(H,17,18)
InChIKeyWNKHFSWWMUYYDX-UHFFFAOYSA-N
XLogP1.72
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ciclopirox
CID 2749
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
Methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
CID 155525711
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-cyclohexyl-1-methoxy-4-methyl-1H-pyridin-2-one
CID 15102839
(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate
CID 58519895
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one;ethane;2-methylbutane;hydrate
CID 144392813
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2-one;ethane
CID 145081147
6-Cyclohexyl-4-methyl-1-propoxypyridin-2-one
CID 163530033
6-Cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one
CID 167059141
6-Cyclohexyl-1-hydroxy-4-propylpyridin-2-one
CID 171648055

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid (CID 155552098) is 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid is Cc1cc(C2CCCCC2)n(OCC(=O)O)c(=O)c1.
What is the InChIKey of 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid?
The InChIKey is WNKHFSWWMUYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-7-12(11-5-3-2-4-6-11)15(13(16)8-10)19-9-14(17)18/h7-8,11H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid?
2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 155552098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).