(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide

C14H12N2O2 — CID 135137835

IUPAC(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(O)cn1
InChIInChI=1S/C14H12N2O2/c17-12-7-8-13(15-10-12)16-14(18)9-6-11-4-2-1-3-5-11/h1-10,17H,(H,15,16,18)/b9-6+
InChIKeyYHRUFOJVCIHRFU-RMKNXTFCSA-N
MW240.26 g/mol
LogP2.44
Rot. Bonds3

About (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide

(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 135137835) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID135137835
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(O)cn1
InChIInChI=1S/C14H12N2O2/c17-12-7-8-13(15-10-12)16-14(18)9-6-11-4-2-1-3-5-11/h1-10,17H,(H,15,16,18)/b9-6+
InChIKeyYHRUFOJVCIHRFU-RMKNXTFCSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide (CID 135137835) is (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(O)cn1.
What is the InChIKey of (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is YHRUFOJVCIHRFU-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-12-7-8-13(15-10-12)16-14(18)9-6-11-4-2-1-3-5-11/h1-10,17H,(H,15,16,18)/b9-6+.
What are the key properties of (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 240.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-hydroxy-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 135137835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).