N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

C15H17BrN4O2 — CID 71598179

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C15H17BrN4O2/c1-10-3-8-15(22)20(19-10)9-14(21)18-17-11(2)12-4-6-13(16)7-5-12/h4-7H,3,8-9H2,1-2H3,(H,18,21)/b17-11+
InChIKeyOWXSNJUUJOFFOZ-GZTJUZNOSA-N
MW365.23 g/mol
LogP2.29
Rot. Bonds4

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 71598179) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID71598179
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C15H17BrN4O2/c1-10-3-8-15(22)20(19-10)9-14(21)18-17-11(2)12-4-6-13(16)7-5-12/h4-7H,3,8-9H2,1-2H3,(H,18,21)/b17-11+
InChIKeyOWXSNJUUJOFFOZ-GZTJUZNOSA-N
XLogP2.29
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydro-(1H)-pyrazole derivative, 3d
CID 11637551
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CID 5333276
2-[2-(3-bromobenzylidene)hydrazino]-N-butyl-2-oxoacetamide
CID 9725860
2-[N'-(4-Bromo-benzylidene)-hydrazino]-N-tert-butyl-2-oxo-acetamide
CID 5339218
2-(3-(4-Bromophenyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7663464
(2S)-N-[(E)-(4-bromophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 9697572
N-[(E)-(4-bromophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466626
N-[(E)-(4-fluorophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466629
N'-[1-(4-bromophenyl)ethylidene]-2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetohydrazide
CID 5337016
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-p-tolylmethyleneamino]acetamide
CID 71597541
N-[(E)-benzylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71597911
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-(p-tolyl)ethylideneamino]acetamide
CID 71598180

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide (CID 71598179) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is CC1=NN(CC(=O)N/N=C(\C)c2ccc(Br)cc2)C(=O)CC1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is OWXSNJUUJOFFOZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-3-8-15(22)20(19-10)9-14(21)18-17-11(2)12-4-6-13(16)7-5-12/h4-7H,3,8-9H2,1-2H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 365.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 71598179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).