[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C20H26N4O2 — CID 109113349

IUPAC[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-10-13-24(14-11-15)20(25)18-7-8-19(23-22-18)21-12-9-16-3-5-17(26-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,23)
InChIKeyAUQMIUNXJCNSGB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.01
Rot. Bonds6

About [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109113349) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109113349
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-10-13-24(14-11-15)20(25)18-7-8-19(23-22-18)21-12-9-16-3-5-17(26-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,23)
InChIKeyAUQMIUNXJCNSGB-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
(4-ethylpiperazin-1-yl)-[6-[2-(3-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109116645
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299157
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109113349) is [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(CCNc2ccc(C(=O)N3CCC(C)CC3)nn2)cc1.
What is the InChIKey of [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AUQMIUNXJCNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-10-13-24(14-11-15)20(25)18-7-8-19(23-22-18)21-12-9-16-3-5-17(26-2)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,21,23).
What are the key properties of [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109113349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).