2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one

C17H28N2O2 — CID 82218653

IUPAC2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1C1CCCCC1C
InChIInChI=1S/C17H28N2O2/c1-4-18(5-2)11-14-10-16(20)17(21)12-19(14)15-9-7-6-8-13(15)3/h10,12-13,15,21H,4-9,11H2,1-3H3
InChIKeyCLVQHZNQHYOEIO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.15
Rot. Bonds5

About 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one

2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one (PubChem CID 82218653) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one
PubChem CID82218653
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1C1CCCCC1C
InChIInChI=1S/C17H28N2O2/c1-4-18(5-2)11-14-10-16(20)17(21)12-19(14)15-9-7-6-8-13(15)3/h10,12-13,15,21H,4-9,11H2,1-3H3
InChIKeyCLVQHZNQHYOEIO-UHFFFAOYSA-N
XLogP3.15
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one (CID 82218653) is 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one is CCN(CC)Cc1cc(=O)c(O)cn1C1CCCCC1C.
What is the InChIKey of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one?
The InChIKey is CLVQHZNQHYOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18(5-2)11-14-10-16(20)17(21)12-19(14)15-9-7-6-8-13(15)3/h10,12-13,15,21H,4-9,11H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one?
2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one is sourced from PubChem (CID 82218653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).