2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide

C21H21FN4O — CID 113044121

IUPAC2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C21H21FN4O/c22-18-11-5-4-10-17(18)15-21(27)24-20-13-12-19(25-26-20)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H,23,25)(H,24,26,27)
InChIKeyNPAKZWLHIHBKJB-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.84
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide

2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide (PubChem CID 113044121) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
PubChem CID113044121
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C21H21FN4O/c22-18-11-5-4-10-17(18)15-21(27)24-20-13-12-19(25-26-20)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H,23,25)(H,24,26,27)
InChIKeyNPAKZWLHIHBKJB-UHFFFAOYSA-N
XLogP3.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide 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

2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113044083
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
N-[6-(1,3-benzodioxol-5-ylmethylamino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113041856

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide (CID 113044121) is 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide is O=C(Cc1ccccc1F)Nc1ccc(NCCCc2ccccc2)nn1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide?
The InChIKey is NPAKZWLHIHBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-11-5-4-10-17(18)15-21(27)24-20-13-12-19(25-26-20)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H,23,25)(H,24,26,27).
What are the key properties of 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide?
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113044121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).