(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide

C17H14N2O3 — CID 11507610

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cn1)NO
InChIInChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+
InChIKeyGRMFJGXRNIRQAJ-PPZOTWNKSA-N
MW294.31 g/mol
LogP2.50
Rot. Bonds5

About (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 11507610) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID11507610
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cn1)NO
InChIInChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+
InChIKeyGRMFJGXRNIRQAJ-PPZOTWNKSA-N
XLogP2.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 11507610) is (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cn1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is GRMFJGXRNIRQAJ-PPZOTWNKSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 11507610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).