N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

C24H28FN5O — CID 53496471

IUPACN-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(=O)NCCCN)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O/c1-24(2,19-7-9-20(25)10-8-19)16-28-22-12-11-21(29-30-22)17-5-3-6-18(15-17)23(31)27-14-4-13-26/h3,5-12,15H,4,13-14,16,26H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyKAPSMXVDRJNOGB-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.75
Rot. Bonds9

About N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (PubChem CID 53496471) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
PubChem CID53496471
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(=O)NCCCN)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O/c1-24(2,19-7-9-20(25)10-8-19)16-28-22-12-11-21(29-30-22)17-5-3-6-18(15-17)23(31)27-14-4-13-26/h3,5-12,15H,4,13-14,16,26H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyKAPSMXVDRJNOGB-UHFFFAOYSA-N
XLogP3.75
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (CID 53496471) is N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is CC(C)(CNc1ccc(-c2cccc(C(=O)NCCCN)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The InChIKey is KAPSMXVDRJNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-24(2,19-7-9-20(25)10-8-19)16-28-22-12-11-21(29-30-22)17-5-3-6-18(15-17)23(31)27-14-4-13-26/h3,5-12,15H,4,13-14,16,26H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53496471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).