3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide

C20H19ClN4O — CID 139323754

IUPAC3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
SMILESCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-13(14-5-7-17(21)8-6-14)12-23-19-10-9-18(24-25-19)15-3-2-4-16(11-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyVNEOJFAGGLNXJQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.11
Rot. Bonds6

About 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide

3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide (PubChem CID 139323754) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
PubChem CID139323754
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
SMILESCC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-13(14-5-7-17(21)8-6-14)12-23-19-10-9-18(24-25-19)15-3-2-4-16(11-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyVNEOJFAGGLNXJQ-UHFFFAOYSA-N
XLogP4.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139324046
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-(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
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-[6-[[3-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)propyl]amino]pyridazin-3-yl]benzamide
CID 53496351
[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
CID 139323753
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
CID 96520494

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide (CID 139323754) is 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide is CC(CNc1ccc(-c2cccc(C(N)=O)c2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide?
The InChIKey is VNEOJFAGGLNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13(14-5-7-17(21)8-6-14)12-23-19-10-9-18(24-25-19)15-3-2-4-16(11-15)20(22)26/h2-11,13H,12H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide?
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 4.11, 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-chlorophenyl)propylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 139323754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).