N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

C25H22N4O2 — CID 46322365

IUPACN-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)c1
InChIInChI=1S/C25H22N4O2/c1-17-6-3-7-18(14-17)23-12-13-24(29-28-23)26-20-9-4-8-19(15-20)25(30)27-21-10-5-11-22(16-21)31-2/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyVRRDCQFMFDMUMM-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.46
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46322365) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46322365
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)c1
InChIInChI=1S/C25H22N4O2/c1-17-6-3-7-18(14-17)23-12-13-24(29-28-23)26-20-9-4-8-19(15-20)25(30)27-21-10-5-11-22(16-21)31-2/h3-16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyVRRDCQFMFDMUMM-UHFFFAOYSA-N
XLogP5.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46322365) is N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is COc1cccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(C)c4)nn3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is VRRDCQFMFDMUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-6-3-7-18(14-17)23-12-13-24(29-28-23)26-20-9-4-8-19(15-20)25(30)27-21-10-5-11-22(16-21)31-2/h3-16H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 410.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46322365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).