3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide

C22H24N4O3 — CID 113044099

IUPAC3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-13-17(14-19(15-18)29-2)22(27)24-21-11-10-20(25-26-21)23-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyXYBNVWMLGJRXHW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds9

About 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide

3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 113044099) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
PubChem CID113044099
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-13-17(14-19(15-18)29-2)22(27)24-21-11-10-20(25-26-21)23-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyXYBNVWMLGJRXHW-UHFFFAOYSA-N
XLogP3.79
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (CID 113044099) is 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is XYBNVWMLGJRXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-13-17(14-19(15-18)29-2)22(27)24-21-11-10-20(25-26-21)23-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).