(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

C16H15BrN2O3 — CID 89001816

IUPAC(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccc(Br)cc2)c1=O)NO
InChIInChI=1S/C16H15BrN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h1-8,10,22H,9,11H2,(H,18,20)/b8-5+
InChIKeyNIMDWDBWJCZZCZ-VMPITWQZSA-N
MW363.21 g/mol
LogP2.37
Rot. Bonds5

About (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 89001816) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID89001816
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(CCc2ccc(Br)cc2)c1=O)NO
InChIInChI=1S/C16H15BrN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h1-8,10,22H,9,11H2,(H,18,20)/b8-5+
InChIKeyNIMDWDBWJCZZCZ-VMPITWQZSA-N
XLogP2.37
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.37
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)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 89001816) is (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccn(CCc2ccc(Br)cc2)c1=O)NO.
What is the InChIKey of (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is NIMDWDBWJCZZCZ-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-14-6-3-12(4-7-14)9-11-19-10-1-2-13(16(19)21)5-8-15(20)18-22/h1-8,10,22H,9,11H2,(H,18,20)/b8-5+.
What are the key properties of (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 363.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(4-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 89001816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).