6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide

C22H24N4O3 — CID 109114229

IUPAC6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O3/c1-28-15-5-14-23-21-13-12-20(25-26-21)22(27)24-18-8-10-19(11-9-18)29-16-17-6-3-2-4-7-17/h2-4,6-13H,5,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyPITQZHVKKHUVHB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.76
Rot. Bonds10

About 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide

6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109114229) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109114229
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O3/c1-28-15-5-14-23-21-13-12-20(25-26-21)22(27)24-18-8-10-19(11-9-18)29-16-17-6-3-2-4-7-17/h2-4,6-13H,5,14-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyPITQZHVKKHUVHB-UHFFFAOYSA-N
XLogP3.76
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide (CID 109114229) is 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is PITQZHVKKHUVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-15-5-14-23-21-13-12-20(25-26-21)22(27)24-18-8-10-19(11-9-18)29-16-17-6-3-2-4-7-17/h2-4,6-13H,5,14-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide?
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).