6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one

C12H17NO3 — CID 54759286

IUPAC6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILES[2H]c1c(CO)c([2H])c(=O)n(O)c1C1CCCCC1
InChIInChI=1S/C12H17NO3/c14-8-9-6-11(13(16)12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14,16H,1-5,8H2/i6D,7D
InChIKeyAEYHKPZWHWQCHM-QFIQSOQBSA-N
MW225.28 g/mol
LogP1.63
Rot. Bonds2

About 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one

6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (PubChem CID 54759286) has the molecular formula C12H17NO3 and a molecular weight of 225.28 g/mol. Its IUPAC name is 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
PubChem CID54759286
Molecular FormulaC12H17NO3
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILES[2H]c1c(CO)c([2H])c(=O)n(O)c1C1CCCCC1
InChIInChI=1S/C12H17NO3/c14-8-9-6-11(13(16)12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14,16H,1-5,8H2/i6D,7D
InChIKeyAEYHKPZWHWQCHM-QFIQSOQBSA-N
XLogP1.63
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

Ciclopirox
CID 2749
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
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
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759291
6-Cyclohexyl-3-fluoro-1-hydroxy-2-oxopyridine-4-carboxylic acid
CID 54759479
6-Cyclohexyl-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761662
6-cyclohexyl-1-methoxy-4-methyl-1H-pyridin-2-one
CID 15102839
1-Hydroxy-4-methyl-6-(4-methylcyclohexyl)pyridin-2-one
CID 20158083
6-(2-Cyclohexylethyl)-1-hydroxy-4-methylpyridin-2(1H)-one
CID 21520163

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (CID 54759286) is 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is [2H]c1c(CO)c([2H])c(=O)n(O)c1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The InChIKey is AEYHKPZWHWQCHM-QFIQSOQBSA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-9-6-11(13(16)12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14,16H,1-5,8H2/i6D,7D.
What are the key properties of 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one has a molecular weight of 225.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 54759286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).