6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol

C21H41NO3 — CID 145081146

IUPAC6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol
SMILESCC.CCC.CCCO.COn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C13H19NO2.C3H8O.C3H8.C2H6/c1-10-8-12(11-6-4-3-5-7-11)14(16-2)13(15)9-10;1-2-3-4;1-3-2;1-2/h8-9,11H,3-7H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeySGGRNNZINJRGNK-UHFFFAOYSA-N
MW355.56 g/mol
LogP5.09
Rot. Bonds3

About 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol

6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol (PubChem CID 145081146) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol.

Molecular Properties

Compound Name6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol
PubChem CID145081146
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC Name6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol
SMILESCC.CCC.CCCO.COn1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C13H19NO2.C3H8O.C3H8.C2H6/c1-10-8-12(11-6-4-3-5-7-11)14(16-2)13(15)9-10;1-2-3-4;1-3-2;1-2/h8-9,11H,3-7H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeySGGRNNZINJRGNK-UHFFFAOYSA-N
XLogP5.09
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ciclopirox
CID 2749
Ciclopirox Olamine
CID 38911
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
CID 139553633
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
Ciclopirox olamine monohydrate
CID 172643597
2-hydroxyethanaminium 6-cyclohexyl-4-methyl-2-oxopyridin-1(2H)-olate
CID 45480172
6-Cyclohexyl-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759287
6-Cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759289

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol?
The IUPAC name of 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol (CID 145081146) is 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol.
What is the SMILES notation for 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol?
The canonical SMILES for 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol is CC.CCC.CCCO.COn1c(C2CCCCC2)cc(C)cc1=O.
What is the InChIKey of 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol?
The InChIKey is SGGRNNZINJRGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C3H8O.C3H8.C2H6/c1-10-8-12(11-6-4-3-5-7-11)14(16-2)13(15)9-10;1-2-3-4;1-3-2;1-2/h8-9,11H,3-7H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol?
6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol has a molecular weight of 355.56 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol is sourced from PubChem (CID 145081146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).