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

C10H12N4O2 — CID 104879927

IUPAC1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCNCc1noc(-c2ccn(C)c(=O)c2)n1
InChIInChI=1S/C10H12N4O2/c1-11-6-8-12-10(16-13-8)7-3-4-14(2)9(15)5-7/h3-5,11H,6H2,1-2H3
InChIKeyILYIYDRFHWREIP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.15
Rot. Bonds3

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

1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (PubChem CID 104879927) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
PubChem CID104879927
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCNCc1noc(-c2ccn(C)c(=O)c2)n1
InChIInChI=1S/C10H12N4O2/c1-11-6-8-12-10(16-13-8)7-3-4-14(2)9(15)5-7/h3-5,11H,6H2,1-2H3
InChIKeyILYIYDRFHWREIP-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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Related Compounds

4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
CID 71924986
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 102802205
N-methyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65100694
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337907
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 107333428
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 154780658
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
1-[5-(3-iodothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 130575910
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (CID 104879927) is 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is CNCc1noc(-c2ccn(C)c(=O)c2)n1.
What is the InChIKey of 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The InChIKey is ILYIYDRFHWREIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-6-8-12-10(16-13-8)7-3-4-14(2)9(15)5-7/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
1-methyl-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-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-4-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 104879927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).