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

C10H12N4O2 — CID 121199923

IUPAC1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCNCc1nc(-c2cccn(C)c2=O)no1
InChIInChI=1S/C10H12N4O2/c1-11-6-8-12-9(13-16-8)7-4-3-5-14(2)10(7)15/h3-5,11H,6H2,1-2H3
InChIKeyGQVHHGMKTJPQRK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.15
Rot. Bonds3

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

1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 121199923) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID121199923
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCNCc1nc(-c2cccn(C)c2=O)no1
InChIInChI=1S/C10H12N4O2/c1-11-6-8-12-9(13-16-8)7-4-3-5-14(2)10(7)15/h3-5,11H,6H2,1-2H3
InChIKeyGQVHHGMKTJPQRK-UHFFFAOYSA-N
XLogP0.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 121199923) is 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is CNCc1nc(-c2cccn(C)c2=O)no1.
What is the InChIKey of 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is GQVHHGMKTJPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-6-8-12-9(13-16-8)7-4-3-5-14(2)10(7)15/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 121199923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).