3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide

C20H20N4O2 — CID 53497145

IUPAC3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(CCNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-7-5-14(6-8-17)11-12-22-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(21)25/h2-10,13H,11-12H2,1H3,(H2,21,25)(H,22,24)
InChIKeyATOLZXBAPZXNHM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.91
Rot. Bonds7

About 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide

3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide (PubChem CID 53497145) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide
PubChem CID53497145
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(CCNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-7-5-14(6-8-17)11-12-22-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(21)25/h2-10,13H,11-12H2,1H3,(H2,21,25)(H,22,24)
InChIKeyATOLZXBAPZXNHM-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[2-(4-methoxyphenyl)ethylamino]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 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide (CID 53497145) is 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide is COc1ccc(CCNc2ccc(-c3cccc(C(N)=O)c3)nn2)cc1.
What is the InChIKey of 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide?
The InChIKey is ATOLZXBAPZXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-7-5-14(6-8-17)11-12-22-19-10-9-18(23-24-19)15-3-2-4-16(13-15)20(21)25/h2-10,13H,11-12H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide?
3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).