(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide

C17H15BrN2O3 — CID 89001826

IUPAC(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc(Br)c2)c1=O)NO
InChIInChI=1S/C17H15BrN2O3/c18-15-7-1-4-13(12-15)5-2-10-20-11-3-6-14(17(20)22)8-9-16(21)19-23/h1-9,11-12,23H,10H2,(H,19,21)/b5-2+,9-8+
InChIKeyXBIQPOPTXUPDKV-LDTZJAMMSA-N
MW375.22 g/mol
LogP2.84
Rot. Bonds5

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

(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 89001826) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID89001826
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc(Br)c2)c1=O)NO
InChIInChI=1S/C17H15BrN2O3/c18-15-7-1-4-13(12-15)5-2-10-20-11-3-6-14(17(20)22)8-9-16(21)19-23/h1-9,11-12,23H,10H2,(H,19,21)/b5-2+,9-8+
InChIKeyXBIQPOPTXUPDKV-LDTZJAMMSA-N
XLogP2.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.84
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

(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001871
(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001819
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
CID 89001938
(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide
CID 89001868
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
CID 79107239
(E)-3-(3-bromophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636560
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
5-(3-bromophenyl)-3-oxopent-4-enoic acid
CID 56997242
(E)-3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]prop-2-enamide
CID 83058983
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 89001826) is (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccn(C/C=C/c2cccc(Br)c2)c1=O)NO.
What is the InChIKey of (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is XBIQPOPTXUPDKV-LDTZJAMMSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-15-7-1-4-13(12-15)5-2-10-20-11-3-6-14(17(20)22)8-9-16(21)19-23/h1-9,11-12,23H,10H2,(H,19,21)/b5-2+,9-8+.
What are the key properties of (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 375.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 89001826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).