N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C19H16BrN3O3 — CID 7660079

IUPACN-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H16BrN3O3/c1-26-16-8-2-13(3-9-16)17-10-11-19(25)23(22-17)12-18(24)21-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyPSNXKPJDQGZNMU-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.32
Rot. Bonds5

About N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7660079) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7660079
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC NameN-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H16BrN3O3/c1-26-16-8-2-13(3-9-16)17-10-11-19(25)23(22-17)12-18(24)21-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyPSNXKPJDQGZNMU-UHFFFAOYSA-N
XLogP3.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050297
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051137
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
ethyl 4-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376414
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7660079) is N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PSNXKPJDQGZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-26-16-8-2-13(3-9-16)17-10-11-19(25)23(22-17)12-18(24)21-15-6-4-14(20)5-7-15/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 414.26 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7660079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).