(E)-2-cyano-3-pyridin-4-ylprop-2-enamide

C9H7N3O — CID 696291

IUPAC(E)-2-cyano-3-pyridin-4-ylprop-2-enamide
SMILESN#C/C(=C\c1ccncc1)C(N)=O
InChIInChI=1S/C9H7N3O/c10-6-8(9(11)13)5-7-1-3-12-4-2-7/h1-5H,(H2,11,13)/b8-5+
InChIKeyOJUGYMUOPZHNKD-VMPITWQZSA-N
MW173.17 g/mol
LogP0.47
Rot. Bonds2

About (E)-2-cyano-3-pyridin-4-ylprop-2-enamide

(E)-2-cyano-3-pyridin-4-ylprop-2-enamide (PubChem CID 696291) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is (E)-2-cyano-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-pyridin-4-ylprop-2-enamide
PubChem CID696291
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name(E)-2-cyano-3-pyridin-4-ylprop-2-enamide
SMILESN#C/C(=C\c1ccncc1)C(N)=O
InChIInChI=1S/C9H7N3O/c10-6-8(9(11)13)5-7-1-3-12-4-2-7/h1-5H,(H2,11,13)/b8-5+
InChIKeyOJUGYMUOPZHNKD-VMPITWQZSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-pyridin-4-ylprop-2-enamide (CID 696291) is (E)-2-cyano-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-pyridin-4-ylprop-2-enamide is N#C/C(=C\c1ccncc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-pyridin-4-ylprop-2-enamide?
The InChIKey is OJUGYMUOPZHNKD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H7N3O/c10-6-8(9(11)13)5-7-1-3-12-4-2-7/h1-5H,(H2,11,13)/b8-5+.
What are the key properties of (E)-2-cyano-3-pyridin-4-ylprop-2-enamide?
(E)-2-cyano-3-pyridin-4-ylprop-2-enamide has a molecular weight of 173.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 696291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).