3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide

C21H22N4O2 — CID 50815961

IUPAC3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-9-5-8-17(14-18)19-10-11-20(25-24-19)23-15-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyONWQOBAPMGIQCQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.13
Rot. Bonds8

About 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide

3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide (PubChem CID 50815961) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
PubChem CID50815961
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-9-5-8-17(14-18)19-10-11-20(25-24-19)23-15-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyONWQOBAPMGIQCQ-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 139323789
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide
CID 53098814
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499

Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide (CID 50815961) is 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1.
What is the InChIKey of 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide?
The InChIKey is ONWQOBAPMGIQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-13-12-22-21(26)18-9-5-8-17(14-18)19-10-11-20(25-24-19)23-15-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide?
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 50815961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).