1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile

C11H10N4O2 — CID 113233717

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCCc1nc(Cn2cccc(C#N)c2=O)no1
InChIInChI=1S/C11H10N4O2/c1-2-10-13-9(14-17-10)7-15-5-3-4-8(6-12)11(15)16/h3-5H,2,7H2,1H3
InChIKeyVSNYXQHVHYIQOS-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.71
Rot. Bonds3

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 113233717) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID113233717
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCCc1nc(Cn2cccc(C#N)c2=O)no1
InChIInChI=1S/C11H10N4O2/c1-2-10-13-9(14-17-10)7-15-5-3-4-8(6-12)11(15)16/h3-5H,2,7H2,1H3
InChIKeyVSNYXQHVHYIQOS-UHFFFAOYSA-N
XLogP0.71
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile (CID 113233717) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile is CCc1nc(Cn2cccc(C#N)c2=O)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is VSNYXQHVHYIQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-2-10-13-9(14-17-10)7-15-5-3-4-8(6-12)11(15)16/h3-5H,2,7H2,1H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 113233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).