N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

C22H24N4O2 — CID 50776950

IUPACN-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-5-3-6-18(15-16)20-11-12-21(26-25-20)24-19-9-7-17(8-10-19)22(27)23-13-4-14-28-2/h3,5-12,15H,4,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQHCSVKXWAGWMBJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.96
Rot. Bonds8

About N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 50776950) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID50776950
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-5-3-6-18(15-16)20-11-12-21(26-25-20)24-19-9-7-17(8-10-19)22(27)23-13-4-14-28-2/h3,5-12,15H,4,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQHCSVKXWAGWMBJ-UHFFFAOYSA-N
XLogP3.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.96
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

N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 50776950) is N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is COCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is QHCSVKXWAGWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-5-3-6-18(15-16)20-11-12-21(26-25-20)24-19-9-7-17(8-10-19)22(27)23-13-4-14-28-2/h3,5-12,15H,4,13-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 50776950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).