(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide

C14H11N3O3 — CID 834793

IUPAC(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccnc1
InChIInChI=1S/C14H11N3O3/c18-14(16-12-2-1-9-15-10-12)8-5-11-3-6-13(7-4-11)17(19)20/h1-10H,(H,16,18)/b8-5+
InChIKeyPUAOYMSGZGGOJW-VMPITWQZSA-N
MW269.26 g/mol
LogP2.64
Rot. Bonds4

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

(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 834793) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide
PubChem CID834793
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccnc1
InChIInChI=1S/C14H11N3O3/c18-14(16-12-2-1-9-15-10-12)8-5-11-3-6-13(7-4-11)17(19)20/h1-10H,(H,16,18)/b8-5+
InChIKeyPUAOYMSGZGGOJW-VMPITWQZSA-N
XLogP2.64
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(4-nitrophenyl)-N-pyridin-3-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)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide (CID 834793) is (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccnc1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is PUAOYMSGZGGOJW-VMPITWQZSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(16-12-2-1-9-15-10-12)8-5-11-3-6-13(7-4-11)17(19)20/h1-10H,(H,16,18)/b8-5+.
What are the key properties of (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 269.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 834793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).