2-cyano-N-pyridin-4-ylacetamide

C8H7N3O — CID 2806410

IUPAC2-cyano-N-pyridin-4-ylacetamide
SMILESN#CCC(=O)Nc1ccncc1
InChIInChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12)
InChIKeyNXYFYWIFFJYFCE-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.93
Rot. Bonds2

About 2-cyano-N-pyridin-4-ylacetamide

2-cyano-N-pyridin-4-ylacetamide (PubChem CID 2806410) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-cyano-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-cyano-N-pyridin-4-ylacetamide
PubChem CID2806410
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-cyano-N-pyridin-4-ylacetamide
SMILESN#CCC(=O)Nc1ccncc1
InChIInChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12)
InChIKeyNXYFYWIFFJYFCE-UHFFFAOYSA-N
XLogP0.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-pyridin-4-ylacetamide?
The IUPAC name of 2-cyano-N-pyridin-4-ylacetamide (CID 2806410) is 2-cyano-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-cyano-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-cyano-N-pyridin-4-ylacetamide is N#CCC(=O)Nc1ccncc1.
What is the InChIKey of 2-cyano-N-pyridin-4-ylacetamide?
The InChIKey is NXYFYWIFFJYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12).
What are the key properties of 2-cyano-N-pyridin-4-ylacetamide?
2-cyano-N-pyridin-4-ylacetamide has a molecular weight of 161.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pyridin-4-ylacetamide is sourced from PubChem (CID 2806410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).