6-(2-cyanoethenyl)pyridine-2-carboxamide

C9H7N3O — CID 169483449

IUPAC6-(2-cyanoethenyl)pyridine-2-carboxamide
SMILESN#CC=Cc1cccc(C(N)=O)n1
InChIInChI=1S/C9H7N3O/c10-6-2-4-7-3-1-5-8(12-7)9(11)13/h1-5H,(H2,11,13)
InChIKeyCKJIUVHZWOVDGO-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.72
Rot. Bonds2

About 6-(2-cyanoethenyl)pyridine-2-carboxamide

6-(2-cyanoethenyl)pyridine-2-carboxamide (PubChem CID 169483449) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-(2-cyanoethenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoethenyl)pyridine-2-carboxamide
PubChem CID169483449
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name6-(2-cyanoethenyl)pyridine-2-carboxamide
SMILESN#CC=Cc1cccc(C(N)=O)n1
InChIInChI=1S/C9H7N3O/c10-6-2-4-7-3-1-5-8(12-7)9(11)13/h1-5H,(H2,11,13)
InChIKeyCKJIUVHZWOVDGO-UHFFFAOYSA-N
XLogP0.72
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoethenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-cyanoethenyl)pyridine-2-carboxamide (CID 169483449) is 6-(2-cyanoethenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-cyanoethenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-cyanoethenyl)pyridine-2-carboxamide is N#CC=Cc1cccc(C(N)=O)n1.
What is the InChIKey of 6-(2-cyanoethenyl)pyridine-2-carboxamide?
The InChIKey is CKJIUVHZWOVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-6-2-4-7-3-1-5-8(12-7)9(11)13/h1-5H,(H2,11,13).
What are the key properties of 6-(2-cyanoethenyl)pyridine-2-carboxamide?
6-(2-cyanoethenyl)pyridine-2-carboxamide has a molecular weight of 173.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoethenyl)pyridine-2-carboxamide is sourced from PubChem (CID 169483449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).