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

C21H21N3O2 — CID 26845123

IUPAC3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-6-8-17(9-7-15)19-10-11-20(24-23-19)26-13-12-22-21(25)18-5-3-4-16(2)14-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyHAVLYKZPXKMAFN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.57
Rot. Bonds6

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

3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (PubChem CID 26845123) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
PubChem CID26845123
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-6-8-17(9-7-15)19-10-11-20(24-23-19)26-13-12-22-21(25)18-5-3-4-16(2)14-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyHAVLYKZPXKMAFN-UHFFFAOYSA-N
XLogP3.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 26845125
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (CID 26845123) is 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is Cc1ccc(-c2ccc(OCCNC(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The InChIKey is HAVLYKZPXKMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-6-8-17(9-7-15)19-10-11-20(24-23-19)26-13-12-22-21(25)18-5-3-4-16(2)14-18/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is sourced from PubChem (CID 26845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).