3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one

C11H13N3O2 — CID 135530195

IUPAC3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one
SMILESCCc1cc(-c2nnc(C)o2)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-4-8-5-9(6(2)12-10(8)15)11-14-13-7(3)16-11/h5H,4H2,1-3H3,(H,12,15)
InChIKeyAEDBUDJUYDWCMW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds2

About 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one

3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one (PubChem CID 135530195) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one
PubChem CID135530195
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one
SMILESCCc1cc(-c2nnc(C)o2)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-4-8-5-9(6(2)12-10(8)15)11-14-13-7(3)16-11/h5H,4H2,1-3H3,(H,12,15)
InChIKeyAEDBUDJUYDWCMW-UHFFFAOYSA-N
XLogP1.60
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one (CID 135530195) is 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one is CCc1cc(-c2nnc(C)o2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one?
The InChIKey is AEDBUDJUYDWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-8-5-9(6(2)12-10(8)15)11-14-13-7(3)16-11/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one?
3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135530195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).