2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one

C11H18N2O2 — CID 70935181

IUPAC2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-8(2)6-10(14)11(15)9(13)7-12(3)4/h6,15H,5,7H2,1-4H3
InChIKeyGUZOTASVWSRRRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.94
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one

2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one (PubChem CID 70935181) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one
PubChem CID70935181
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CN(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-8(2)6-10(14)11(15)9(13)7-12(3)4/h6,15H,5,7H2,1-4H3
InChIKeyGUZOTASVWSRRRH-UHFFFAOYSA-N
XLogP0.94
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one (CID 70935181) is 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one is CCn1c(C)cc(=O)c(O)c1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is GUZOTASVWSRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-8(2)6-10(14)11(15)9(13)7-12(3)4/h6,15H,5,7H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one?
2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 70935181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).