N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide

C22H21BrN4O3 — CID 16884859

IUPACN-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1
InChIInChI=1S/C22H21BrN4O3/c1-15(28)24-18-8-10-19(11-9-18)25-21(29)3-2-14-27-22(30)13-12-20(26-27)16-4-6-17(23)7-5-16/h4-13H,2-3,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyOUEXFOVDFJOOGH-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.05
Rot. Bonds7

About N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide

N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16884859) has the molecular formula C22H21BrN4O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16884859
Molecular FormulaC22H21BrN4O3
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC NameN-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1
InChIInChI=1S/C22H21BrN4O3/c1-15(28)24-18-8-10-19(11-9-18)25-21(29)3-2-14-27-22(30)13-12-20(26-27)16-4-6-17(23)7-5-16/h4-13H,2-3,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyOUEXFOVDFJOOGH-UHFFFAOYSA-N
XLogP4.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 16884849
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide (CID 16884859) is N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide is CC(=O)Nc1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is OUEXFOVDFJOOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O3/c1-15(28)24-18-8-10-19(11-9-18)25-21(29)3-2-14-27-22(30)13-12-20(26-27)16-4-6-17(23)7-5-16/h4-13H,2-3,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide?
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 469.34 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16884859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).