3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide

C20H19FN4O — CID 139324046

IUPAC3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
SMILESCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O/c1-13(14-4-3-7-17(21)11-14)12-23-19-9-8-18(24-25-19)15-5-2-6-16(10-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyUELIGCACMAACOW-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.60
Rot. Bonds6

About 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide

3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide (PubChem CID 139324046) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
PubChem CID139324046
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
SMILESCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O/c1-13(14-4-3-7-17(21)11-14)12-23-19-9-8-18(24-25-19)15-5-2-6-16(10-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyUELIGCACMAACOW-UHFFFAOYSA-N
XLogP3.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
CID 139323711
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 139323789
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
3-[6-[2-(2-chlorophenyl)pentylamino]pyridazin-3-yl]benzamide;methane;3-[6-[1-(4-methylphenyl)ethylamino]pyridazin-3-yl]benzamide;3-[6-[[(2S)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-[[(2R)-2-(4-methylphenyl)propyl]amino]pyridazin-3-yl]benzamide;3-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide;3-[6-(2-phenylpropylamino)pyridazin-3-yl]benzamide
CID 161241220
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
3-[6-[[3-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)propyl]amino]pyridazin-3-yl]benzamide
CID 53496351
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
CID 95257213
[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
CID 139323753
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide (CID 139324046) is 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide is CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1cccc(F)c1.
What is the InChIKey of 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide?
The InChIKey is UELIGCACMAACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(14-4-3-7-17(21)11-14)12-23-19-9-8-18(24-25-19)15-5-2-6-16(10-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide?
3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 139324046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).