4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one

C10H12N4O2 — CID 104879838

IUPAC4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nc(CCN)no2)cc1=O
InChIInChI=1S/C10H12N4O2/c1-14-5-3-7(6-9(14)15)10-12-8(2-4-11)13-16-10/h3,5-6H,2,4,11H2,1H3
InChIKeyKMJVWJRRAOIZEF-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.06
Rot. Bonds3

About 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one

4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one (PubChem CID 104879838) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
PubChem CID104879838
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nc(CCN)no2)cc1=O
InChIInChI=1S/C10H12N4O2/c1-14-5-3-7(6-9(14)15)10-12-8(2-4-11)13-16-10/h3,5-6H,2,4,11H2,1H3
InChIKeyKMJVWJRRAOIZEF-UHFFFAOYSA-N
XLogP-0.06
TPSA86.94 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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one (CID 104879838) is 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one is Cn1ccc(-c2nc(CCN)no2)cc1=O.
What is the InChIKey of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The InChIKey is KMJVWJRRAOIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14-5-3-7(6-9(14)15)10-12-8(2-4-11)13-16-10/h3,5-6H,2,4,11H2,1H3.
What are the key properties of 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 104879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).