3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide

C26H24N4OS — CID 46322434

IUPAC3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1
InChIInChI=1S/C26H24N4OS/c1-18-6-10-20(11-7-18)24-14-15-25(30-29-24)28-22-5-3-4-21(16-22)26(31)27-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyCNLHUFPGIHFKJP-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.85
Rot. Bonds7

About 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 46322434) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID46322434
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1
InChIInChI=1S/C26H24N4OS/c1-18-6-10-20(11-7-18)24-14-15-25(30-29-24)28-22-5-3-4-21(16-22)26(31)27-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyCNLHUFPGIHFKJP-UHFFFAOYSA-N
XLogP5.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]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

4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 53111039
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 46322434) is 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(C)cc4)nn3)c2)cc1.
What is the InChIKey of 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is CNLHUFPGIHFKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c1-18-6-10-20(11-7-18)24-14-15-25(30-29-24)28-22-5-3-4-21(16-22)26(31)27-17-19-8-12-23(32-2)13-9-19/h3-16H,17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 440.57 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 46322434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).