4-cyano-N-pyridin-4-ylbenzamide

C13H9N3O — CID 2403129

IUPAC4-cyano-N-pyridin-4-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H9N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,(H,15,16,17)
InChIKeyILNVVIJGPYGPJG-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

About 4-cyano-N-pyridin-4-ylbenzamide

4-cyano-N-pyridin-4-ylbenzamide (PubChem CID 2403129) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-cyano-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-cyano-N-pyridin-4-ylbenzamide
PubChem CID2403129
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name4-cyano-N-pyridin-4-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C13H9N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,(H,15,16,17)
InChIKeyILNVVIJGPYGPJG-UHFFFAOYSA-N
XLogP2.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-cyano-N-pyridin-4-ylbenzamide (CID 2403129) is 4-cyano-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-cyano-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-cyano-N-pyridin-4-ylbenzamide is N#Cc1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-cyano-N-pyridin-4-ylbenzamide?
The InChIKey is ILNVVIJGPYGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-8H,(H,15,16,17).
What are the key properties of 4-cyano-N-pyridin-4-ylbenzamide?
4-cyano-N-pyridin-4-ylbenzamide has a molecular weight of 223.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 2403129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).