6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide

C22H24N4O3 — CID 109124675

IUPAC6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-4-5-17(14-16(15)2)24-21-11-10-20(25-26-21)22(27)23-12-13-29-19-8-6-18(28-3)7-9-19/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyWEHMVIZQKSGKNM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.65
Rot. Bonds8

About 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide

6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide (PubChem CID 109124675) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
PubChem CID109124675
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-4-5-17(14-16(15)2)24-21-11-10-20(25-26-21)22(27)23-12-13-29-19-8-6-18(28-3)7-9-19/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyWEHMVIZQKSGKNM-UHFFFAOYSA-N
XLogP3.65
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.65
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

6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109353678
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide (CID 109124675) is 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide is COc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nn2)cc1.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
The InChIKey is WEHMVIZQKSGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-5-17(14-16(15)2)24-21-11-10-20(25-26-21)22(27)23-12-13-29-19-8-6-18(28-3)7-9-19/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide?
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109124675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).