1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one

C11H14N4O2 — CID 104880108

IUPAC1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCNCCc1noc(-c2ccn(C)c(=O)c2)n1
InChIInChI=1S/C11H14N4O2/c1-12-5-3-9-13-11(17-14-9)8-4-6-15(2)10(16)7-8/h4,6-7,12H,3,5H2,1-2H3
InChIKeyYMYHAQGBZDDSRV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.20
Rot. Bonds4

About 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one

1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one (PubChem CID 104880108) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
PubChem CID104880108
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCNCCc1noc(-c2ccn(C)c(=O)c2)n1
InChIInChI=1S/C11H14N4O2/c1-12-5-3-9-13-11(17-14-9)8-4-6-15(2)10(16)7-8/h4,6-7,12H,3,5H2,1-2H3
InChIKeyYMYHAQGBZDDSRV-UHFFFAOYSA-N
XLogP0.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one (CID 104880108) is 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one is CNCCc1noc(-c2ccn(C)c(=O)c2)n1.
What is the InChIKey of 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The InChIKey is YMYHAQGBZDDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-5-3-9-13-11(17-14-9)8-4-6-15(2)10(16)7-8/h4,6-7,12H,3,5H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 104880108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).