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

C15H10N4O3 — CID 24818567

IUPAC(E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O3/c16-9-12(8-11-4-3-7-17-10-11)15(20)18-13-5-1-2-6-14(13)19(21)22/h1-8,10H,(H,18,20)/b12-8+
InChIKeyPBSXECOYWHKXCU-XYOKQWHBSA-N
MW294.27 g/mol
LogP2.54
Rot. Bonds4

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

(E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 24818567) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID24818567
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name(E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O3/c16-9-12(8-11-4-3-7-17-10-11)15(20)18-13-5-1-2-6-14(13)19(21)22/h1-8,10H,(H,18,20)/b12-8+
InChIKeyPBSXECOYWHKXCU-XYOKQWHBSA-N
XLogP2.54
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide (CID 24818567) is (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide is N#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is PBSXECOYWHKXCU-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H10N4O3/c16-9-12(8-11-4-3-7-17-10-11)15(20)18-13-5-1-2-6-14(13)19(21)22/h1-8,10H,(H,18,20)/b12-8+.
What are the key properties of (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 294.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-nitrophenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 24818567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).