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

C17H15N3O3 — CID 2415782

IUPAC(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O
InChIInChI=1S/C17H15N3O3/c1-2-23-15-10-12(6-7-14(15)21)9-13(11-18)17(22)20-16-5-3-4-8-19-16/h3-10,21H,2H2,1H3,(H,19,20,22)/b13-9+
InChIKeyYLOCSAFUCGFNJU-UKTHLTGXSA-N
MW309.33 g/mol
LogP2.73
Rot. Bonds5

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

(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 2415782) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID2415782
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O
InChIInChI=1S/C17H15N3O3/c1-2-23-15-10-12(6-7-14(15)21)9-13(11-18)17(22)20-16-5-3-4-8-19-16/h3-10,21H,2H2,1H3,(H,19,20,22)/b13-9+
InChIKeyYLOCSAFUCGFNJU-UKTHLTGXSA-N
XLogP2.73
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 2415782) is (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide is CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O.
What is the InChIKey of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is YLOCSAFUCGFNJU-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-23-15-10-12(6-7-14(15)21)9-13(11-18)17(22)20-16-5-3-4-8-19-16/h3-10,21H,2H2,1H3,(H,19,20,22)/b13-9+.
What are the key properties of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 309.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 2415782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).