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

C20H20N4O — CID 113041076

IUPAC4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-14-3-7-16(8-4-14)13-21-18-11-12-19(24-23-18)22-20(25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyMSQMLTKXWHBOCB-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

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

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041076) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041076
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-14-3-7-16(8-4-14)13-21-18-11-12-19(24-23-18)22-20(25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyMSQMLTKXWHBOCB-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041076) is 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is MSQMLTKXWHBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-3-7-16(8-4-14)13-21-18-11-12-19(24-23-18)22-20(25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).