4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide

C20H20N4O — CID 113042323

IUPAC4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-7-9-17(10-8-15)20(25)22-19-12-11-18(23-24-19)21-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyBPEPMTSJMOFDDM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds6

About 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide

4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113042323) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
PubChem CID113042323
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-7-9-17(10-8-15)20(25)22-19-12-11-18(23-24-19)21-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyBPEPMTSJMOFDDM-UHFFFAOYSA-N
XLogP3.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide (CID 113042323) is 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is BPEPMTSJMOFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-7-9-17(10-8-15)20(25)22-19-12-11-18(23-24-19)21-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).