3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide

C22H23FN4O — CID 53496103

IUPAC3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2)nnc1NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-14-11-19(15-5-4-6-16(12-15)20(24)28)26-27-21(14)25-13-22(2,3)17-7-9-18(23)10-8-17/h4-12H,13H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyATAJGQPLONEONI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.08
Rot. Bonds6

About 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide

3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide (PubChem CID 53496103) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide
PubChem CID53496103
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2)nnc1NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-14-11-19(15-5-4-6-16(12-15)20(24)28)26-27-21(14)25-13-22(2,3)17-7-9-18(23)10-8-17/h4-12H,13H2,1-3H3,(H2,24,28)(H,25,27)
InChIKeyATAJGQPLONEONI-UHFFFAOYSA-N
XLogP4.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-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 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide (CID 53496103) is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide is Cc1cc(-c2cccc(C(N)=O)c2)nnc1NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide?
The InChIKey is ATAJGQPLONEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-11-19(15-5-4-6-16(12-15)20(24)28)26-27-21(14)25-13-22(2,3)17-7-9-18(23)10-8-17/h4-12H,13H2,1-3H3,(H2,24,28)(H,25,27).
What are the key properties of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide?
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-5-methylpyridazin-3-yl]benzamide is sourced from PubChem (CID 53496103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).