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

C21H21FN4O — CID 53496869

IUPAC3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-21(2,16-6-8-17(22)9-7-16)13-24-19-11-10-18(25-26-19)14-4-3-5-15(12-14)20(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,26)
InChIKeyDVUWOCPRFMAQRQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.77
Rot. Bonds6

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

3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (PubChem CID 53496869) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
PubChem CID53496869
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-21(2,16-6-8-17(22)9-7-16)13-24-19-11-10-18(25-26-19)14-4-3-5-15(12-14)20(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,26)
InChIKeyDVUWOCPRFMAQRQ-UHFFFAOYSA-N
XLogP3.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (CID 53496869) is 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is CC(C)(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The InChIKey is DVUWOCPRFMAQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-21(2,16-6-8-17(22)9-7-16)13-24-19-11-10-18(25-26-19)14-4-3-5-15(12-14)20(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,26).
What are the key properties of 3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.77, 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]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53496869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).