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

C16H13N3O3 — CID 2544799

IUPAC(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O
InChIInChI=1S/C16H13N3O3/c1-22-14-9-11(5-6-13(14)20)8-12(10-17)16(21)19-15-4-2-3-7-18-15/h2-9,20H,1H3,(H,18,19,21)/b12-8+
InChIKeyBFRLSTIOAWXRDZ-XYOKQWHBSA-N
MW295.30 g/mol
LogP2.34
Rot. Bonds4

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

(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 2544799) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID2544799
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O
InChIInChI=1S/C16H13N3O3/c1-22-14-9-11(5-6-13(14)20)8-12(10-17)16(21)19-15-4-2-3-7-18-15/h2-9,20H,1H3,(H,18,19,21)/b12-8+
InChIKeyBFRLSTIOAWXRDZ-XYOKQWHBSA-N
XLogP2.34
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.34
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-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 2544799) is (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is COc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is BFRLSTIOAWXRDZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-14-9-11(5-6-13(14)20)8-12(10-17)16(21)19-15-4-2-3-7-18-15/h2-9,20H,1H3,(H,18,19,21)/b12-8+.
What are the key properties of (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 295.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 2544799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).