6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide

C22H24N4O3 — CID 109121641

IUPAC6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-18-7-9-19(10-8-18)29-16-15-23-21-12-11-20(25-26-21)22(27)24-14-13-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWXNOIOCABKLDME-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.95
Rot. Bonds10

About 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide

6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109121641) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109121641
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-18-7-9-19(10-8-18)29-16-15-23-21-12-11-20(25-26-21)22(27)24-14-13-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWXNOIOCABKLDME-UHFFFAOYSA-N
XLogP2.95
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109113542
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109121641) is 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide is COc1ccc(OCCNc2ccc(C(=O)NCCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is WXNOIOCABKLDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-7-9-19(10-8-18)29-16-15-23-21-12-11-20(25-26-21)22(27)24-14-13-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).