N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

C25H22N4O3 — CID 50777051

IUPACN-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c(OC)c1
InChIInChI=1S/C25H22N4O3/c1-31-20-12-13-22(23(16-20)32-2)27-25(30)18-8-10-19(11-9-18)26-24-15-14-21(28-29-24)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyIIZZZCZDYGDZKT-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.16
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 50777051) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID50777051
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c(OC)c1
InChIInChI=1S/C25H22N4O3/c1-31-20-12-13-22(23(16-20)32-2)27-25(30)18-8-10-19(11-9-18)26-24-15-14-21(28-29-24)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyIIZZZCZDYGDZKT-UHFFFAOYSA-N
XLogP5.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide 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

N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 50777051) is N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is IIZZZCZDYGDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-20-12-13-22(23(16-20)32-2)27-25(30)18-8-10-19(11-9-18)26-24-15-14-21(28-29-24)17-6-4-3-5-7-17/h3-16H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 426.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 50777051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).