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

C10H12N4O2 — CID 136812739

IUPAC3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
SMILESCNCCc1nnc(-c2c[nH]ccc2=O)o1
InChIInChI=1S/C10H12N4O2/c1-11-4-3-9-13-14-10(16-9)7-6-12-5-2-8(7)15/h2,5-6,11H,3-4H2,1H3,(H,12,15)
InChIKeyNHOHHBOVDPJRBT-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.19
Rot. Bonds4

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

3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one (PubChem CID 136812739) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
PubChem CID136812739
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
SMILESCNCCc1nnc(-c2c[nH]ccc2=O)o1
InChIInChI=1S/C10H12N4O2/c1-11-4-3-9-13-14-10(16-9)7-6-12-5-2-8(7)15/h2,5-6,11H,3-4H2,1H3,(H,12,15)
InChIKeyNHOHHBOVDPJRBT-UHFFFAOYSA-N
XLogP0.19
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[2-(propan-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one
CID 136966625
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
2-[5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044064
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
2-[[5-(4-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 136812459
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
2-[5-(4,5-difluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163430
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one (CID 136812739) is 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one is CNCCc1nnc(-c2c[nH]ccc2=O)o1.
What is the InChIKey of 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one?
The InChIKey is NHOHHBOVDPJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-4-3-9-13-14-10(16-9)7-6-12-5-2-8(7)15/h2,5-6,11H,3-4H2,1H3,(H,12,15).
What are the key properties of 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one?
3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 136812739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).