1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one

C11H18N2O3 — CID 134987125

IUPAC1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
SMILESCOc1cn(CCN(C)C)c(CO)cc1=O
InChIInChI=1S/C11H18N2O3/c1-12(2)4-5-13-7-11(16-3)10(15)6-9(13)8-14/h6-7,14H,4-5,8H2,1-3H3
InChIKeyKACIAGAOZFFVTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.09
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one

1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one (PubChem CID 134987125) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
PubChem CID134987125
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
SMILESCOc1cn(CCN(C)C)c(CO)cc1=O
InChIInChI=1S/C11H18N2O3/c1-12(2)4-5-13-7-11(16-3)10(15)6-9(13)8-14/h6-7,14H,4-5,8H2,1-3H3
InChIKeyKACIAGAOZFFVTC-UHFFFAOYSA-N
XLogP-0.09
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one (CID 134987125) is 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one is COc1cn(CCN(C)C)c(CO)cc1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one?
The InChIKey is KACIAGAOZFFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12(2)4-5-13-7-11(16-3)10(15)6-9(13)8-14/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one?
1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one has a molecular weight of 226.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one is sourced from PubChem (CID 134987125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).