5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one

C9H10N4O2 — CID 82507025

IUPAC5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
SMILESNCc1ccc(=O)n(Cc2ncon2)c1
InChIInChI=1S/C9H10N4O2/c10-3-7-1-2-9(14)13(4-7)5-8-11-6-15-12-8/h1-2,4,6H,3,5,10H2
InChIKeyIXBZMWDWDVKYKX-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.26
Rot. Bonds3

About 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one

5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one (PubChem CID 82507025) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
PubChem CID82507025
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one
SMILESNCc1ccc(=O)n(Cc2ncon2)c1
InChIInChI=1S/C9H10N4O2/c10-3-7-1-2-9(14)13(4-7)5-8-11-6-15-12-8/h1-2,4,6H,3,5,10H2
InChIKeyIXBZMWDWDVKYKX-UHFFFAOYSA-N
XLogP-0.26
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one (CID 82507025) is 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one is NCc1ccc(=O)n(Cc2ncon2)c1.
What is the InChIKey of 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
The InChIKey is IXBZMWDWDVKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-3-7-1-2-9(14)13(4-7)5-8-11-6-15-12-8/h1-2,4,6H,3,5,10H2.
What are the key properties of 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one?
5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one has a molecular weight of 206.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82507025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).