3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one

C16H18N2O3 — CID 20514912

IUPAC3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
SMILESCCc1c(-c2ccncc2)cc(C(C)=O)c(=O)n1CCO
InChIInChI=1S/C16H18N2O3/c1-3-15-14(12-4-6-17-7-5-12)10-13(11(2)20)16(21)18(15)8-9-19/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyDESGGDGOWNNQAM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.67
Rot. Bonds5

About 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one

3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one (PubChem CID 20514912) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
PubChem CID20514912
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one
SMILESCCc1c(-c2ccncc2)cc(C(C)=O)c(=O)n1CCO
InChIInChI=1S/C16H18N2O3/c1-3-15-14(12-4-6-17-7-5-12)10-13(11(2)20)16(21)18(15)8-9-19/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyDESGGDGOWNNQAM-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one (CID 20514912) is 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one is CCc1c(-c2ccncc2)cc(C(C)=O)c(=O)n1CCO.
What is the InChIKey of 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
The InChIKey is DESGGDGOWNNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-15-14(12-4-6-17-7-5-12)10-13(11(2)20)16(21)18(15)8-9-19/h4-7,10,19H,3,8-9H2,1-2H3.
What are the key properties of 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one?
3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-ethyl-1-(2-hydroxyethyl)-5-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 20514912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).