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

C12H16N4O2 — CID 106416357

IUPAC1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one
SMILESCc1noc(CCNCCn2ccccc2=O)n1
InChIInChI=1S/C12H16N4O2/c1-10-14-11(18-15-10)5-6-13-7-9-16-8-3-2-4-12(16)17/h2-4,8,13H,5-7,9H2,1H3
InChIKeyYANAHZDSIFRDDH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.37
Rot. Bonds6

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

1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one (PubChem CID 106416357) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one
PubChem CID106416357
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one
SMILESCc1noc(CCNCCn2ccccc2=O)n1
InChIInChI=1S/C12H16N4O2/c1-10-14-11(18-15-10)5-6-13-7-9-16-8-3-2-4-12(16)17/h2-4,8,13H,5-7,9H2,1H3
InChIKeyYANAHZDSIFRDDH-UHFFFAOYSA-N
XLogP0.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one (CID 106416357) is 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one is Cc1noc(CCNCCn2ccccc2=O)n1.
What is the InChIKey of 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one?
The InChIKey is YANAHZDSIFRDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-10-14-11(18-15-10)5-6-13-7-9-16-8-3-2-4-12(16)17/h2-4,8,13H,5-7,9H2,1H3.
What are the key properties of 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one?
1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 106416357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).