5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C11H9N5O2 — CID 106527913

IUPAC5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C11H9N5O2/c1-2-13-10(17)9-15-11(18-16-9)8-4-3-7(5-12)6-14-8/h3-4,6H,2H2,1H3,(H,13,17)
InChIKeyCTSQQHVXFWSMBN-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.75
Rot. Bonds3

About 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106527913) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID106527913
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C11H9N5O2/c1-2-13-10(17)9-15-11(18-16-9)8-4-3-7(5-12)6-14-8/h3-4,6H,2H2,1H3,(H,13,17)
InChIKeyCTSQQHVXFWSMBN-UHFFFAOYSA-N
XLogP0.75
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 106527913) is 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(-c2ccc(C#N)cn2)n1.
What is the InChIKey of 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CTSQQHVXFWSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-2-13-10(17)9-15-11(18-16-9)8-4-3-7(5-12)6-14-8/h3-4,6H,2H2,1H3,(H,13,17).
What are the key properties of 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 243.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106527913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).