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

C22H23BrN4O2 — CID 16884811

IUPAC4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
SMILESCN(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23BrN4O2/c1-26(2)19-11-9-18(10-12-19)24-21(28)4-3-15-27-22(29)14-13-20(25-27)16-5-7-17(23)8-6-16/h5-14H,3-4,15H2,1-2H3,(H,24,28)
InChIKeyPWLOIRCDICIOSM-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.16
Rot. Bonds7

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

4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide (PubChem CID 16884811) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
PubChem CID16884811
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
SMILESCN(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23BrN4O2/c1-26(2)19-11-9-18(10-12-19)24-21(28)4-3-15-27-22(29)14-13-20(25-27)16-5-7-17(23)8-6-16/h5-14H,3-4,15H2,1-2H3,(H,24,28)
InChIKeyPWLOIRCDICIOSM-UHFFFAOYSA-N
XLogP4.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
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
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
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide?
The IUPAC name of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide (CID 16884811) is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide is CN(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide?
The InChIKey is PWLOIRCDICIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-26(2)19-11-9-18(10-12-19)24-21(28)4-3-15-27-22(29)14-13-20(25-27)16-5-7-17(23)8-6-16/h5-14H,3-4,15H2,1-2H3,(H,24,28).
What are the key properties of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide?
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide has a molecular weight of 455.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide is sourced from PubChem (CID 16884811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).