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

C17H15N3O2 — CID 773901

IUPAC(E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C/c2cccnc2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-16-7-3-6-15(10-16)20-17(21)14(11-18)9-13-5-4-8-19-12-13/h3-10,12H,2H2,1H3,(H,20,21)/b14-9+
InChIKeyCAGJFNRCIZAEAA-NTEUORMPSA-N
MW293.33 g/mol
LogP3.03
Rot. Bonds5

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

(E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 773901) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID773901
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C/c2cccnc2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-16-7-3-6-15(10-16)20-17(21)14(11-18)9-13-5-4-8-19-12-13/h3-10,12H,2H2,1H3,(H,20,21)/b14-9+
InChIKeyCAGJFNRCIZAEAA-NTEUORMPSA-N
XLogP3.03
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide (CID 773901) is (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide is CCOc1cccc(NC(=O)/C(C#N)=C/c2cccnc2)c1.
What is the InChIKey of (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CAGJFNRCIZAEAA-NTEUORMPSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-16-7-3-6-15(10-16)20-17(21)14(11-18)9-13-5-4-8-19-12-13/h3-10,12H,2H2,1H3,(H,20,21)/b14-9+.
What are the key properties of (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(3-ethoxyphenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 773901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).