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

C20H20N4O — CID 113041075

IUPAC3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-14-6-8-16(9-7-14)13-21-18-10-11-19(24-23-18)22-20(25)17-5-3-4-15(2)12-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyCTLODTWDWIOEMD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

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

3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041075) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041075
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCc1ccc(CNc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-14-6-8-16(9-7-14)13-21-18-10-11-19(24-23-18)22-20(25)17-5-3-4-15(2)12-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyCTLODTWDWIOEMD-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-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041075) is 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is Cc1ccc(CNc2ccc(NC(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is CTLODTWDWIOEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-6-8-16(9-7-14)13-21-18-10-11-19(24-23-18)22-20(25)17-5-3-4-15(2)12-17/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
3-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 3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).