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

C10H16N2O2 — CID 24881316

IUPAC1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCN(C)C
InChIInChI=1S/C10H16N2O2/c1-8-10(14)9(13)4-5-12(8)7-6-11(2)3/h4-5,14H,6-7H2,1-3H3
InChIKeyBWBVRGRDYWQFRK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 24881316) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID24881316
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCN(C)C
InChIInChI=1S/C10H16N2O2/c1-8-10(14)9(13)4-5-12(8)7-6-11(2)3/h4-5,14H,6-7H2,1-3H3
InChIKeyBWBVRGRDYWQFRK-UHFFFAOYSA-N
XLogP0.42
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one (CID 24881316) is 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is BWBVRGRDYWQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-10(14)9(13)4-5-12(8)7-6-11(2)3/h4-5,14H,6-7H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one?
1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 24881316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).