(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate

C16H23NO3 — CID 54759674

IUPAC(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)C)c(=O)c1
InChIInChI=1S/C16H23NO3/c1-11(2)16(19)20-17-14(9-12(3)10-15(17)18)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyZAUFVSFUYRJBIV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds3

About (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate

(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate (PubChem CID 54759674) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate
PubChem CID54759674
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)C)c(=O)c1
InChIInChI=1S/C16H23NO3/c1-11(2)16(19)20-17-14(9-12(3)10-15(17)18)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3
InChIKeyZAUFVSFUYRJBIV-UHFFFAOYSA-N
XLogP2.82
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ciclopirox
CID 2749
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
3-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553634
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
Methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
CID 155525711
3-Chloro-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 155538721
2-[(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
CID 155552098
6-Cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
CID 139553633
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-(1-Fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759677

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate?
The IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate (CID 54759674) is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate.
What is the SMILES notation for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate?
The canonical SMILES for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate is Cc1cc(C2CCCCC2)n(OC(=O)C(C)C)c(=O)c1.
What is the InChIKey of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate?
The InChIKey is ZAUFVSFUYRJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)16(19)20-17-14(9-12(3)10-15(17)18)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate?
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate is sourced from PubChem (CID 54759674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).