(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide

C15H11N3O — CID 948676

IUPAC(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+
InChIKeyDATACIMLAIVDGY-JLHYYAGUSA-N
MW249.27 g/mol
LogP2.63
Rot. Bonds3

About (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide

(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide (PubChem CID 948676) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide
PubChem CID948676
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+
InChIKeyDATACIMLAIVDGY-JLHYYAGUSA-N
XLogP2.63
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.63
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-phenyl-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide (CID 948676) is (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide?
The InChIKey is DATACIMLAIVDGY-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+.
What are the key properties of (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide has a molecular weight of 249.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenyl-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 948676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).