6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one

C14H22N2O2 — CID 139553704

IUPAC6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C14H22N2O2/c1-10-8-13(11-6-4-3-5-7-11)16(18)14(17)12(10)9-15-2/h8,11,15,18H,3-7,9H2,1-2H3
InChIKeyQDGBHGBEIWNWPD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds3

About 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one

6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 139553704) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
PubChem CID139553704
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C14H22N2O2/c1-10-8-13(11-6-4-3-5-7-11)16(18)14(17)12(10)9-15-2/h8,11,15,18H,3-7,9H2,1-2H3
InChIKeyQDGBHGBEIWNWPD-UHFFFAOYSA-N
XLogP2.16
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one (CID 139553704) is 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one is CNCc1c(C)cc(C2CCCCC2)n(O)c1=O.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is QDGBHGBEIWNWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-13(11-6-4-3-5-7-11)16(18)14(17)12(10)9-15-2/h8,11,15,18H,3-7,9H2,1-2H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one?
6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methyl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 139553704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).