(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide

C17H14N2O3 — CID 11659345

IUPAC(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccncc2)cc1)NO
InChIInChI=1S/C17H14N2O3/c20-16(15-9-11-18-12-10-15)7-5-13-1-3-14(4-2-13)6-8-17(21)19-22/h1-12,22H,(H,19,21)/b7-5+,8-6+
InChIKeyABFGNHXRRHOQFI-KQQUZDAGSA-N
MW294.31 g/mol
LogP2.50
Rot. Bonds5

About (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 11659345) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
PubChem CID11659345
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccncc2)cc1)NO
InChIInChI=1S/C17H14N2O3/c20-16(15-9-11-18-12-10-15)7-5-13-1-3-14(4-2-13)6-8-17(21)19-22/h1-12,22H,(H,19,21)/b7-5+,8-6+
InChIKeyABFGNHXRRHOQFI-KQQUZDAGSA-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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Related Compounds

N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
methyl 4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoate
CID 10038604
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(E)-1-pyridin-4-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 6108529
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
(E)-1-(1-oxidopyridin-1-ium-4-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 6261046
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
(E)-3-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 75412887
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide (CID 11659345) is (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccncc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is ABFGNHXRRHOQFI-KQQUZDAGSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(15-9-11-18-12-10-15)7-5-13-1-3-14(4-2-13)6-8-17(21)19-22/h1-12,22H,(H,19,21)/b7-5+,8-6+.
What are the key properties of (E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]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-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11659345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).