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

C15H10FN3O — CID 5396610

IUPAC(E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H10FN3O/c16-13-6-4-11(5-7-13)9-12(10-17)15(20)19-14-3-1-2-8-18-14/h1-9H,(H,18,19,20)/b12-9+
InChIKeyGKFYXSRHHNXJOC-FMIVXFBMSA-N
MW267.26 g/mol
LogP2.77
Rot. Bonds3

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

(E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 5396610) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID5396610
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name(E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C15H10FN3O/c16-13-6-4-11(5-7-13)9-12(10-17)15(20)19-14-3-1-2-8-18-14/h1-9H,(H,18,19,20)/b12-9+
InChIKeyGKFYXSRHHNXJOC-FMIVXFBMSA-N
XLogP2.77
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.77
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'}

Analyze (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide (CID 5396610) is (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccn1.
What is the InChIKey of (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is GKFYXSRHHNXJOC-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-13-6-4-11(5-7-13)9-12(10-17)15(20)19-14-3-1-2-8-18-14/h1-9H,(H,18,19,20)/b12-9+.
What are the key properties of (E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 267.26 g/mol, XLogP of 2.77, 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-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 5396610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).