6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide

C17H22N4O3 — CID 109113837

IUPAC6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-12(2)24-14-6-4-13(5-7-14)19-17(22)15-8-9-16(21-20-15)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLVWWUZLGLFVZFD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.57
Rot. Bonds8

About 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide

6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide (PubChem CID 109113837) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
PubChem CID109113837
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-12(2)24-14-6-4-13(5-7-14)19-17(22)15-8-9-16(21-20-15)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLVWWUZLGLFVZFD-UHFFFAOYSA-N
XLogP2.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.57
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-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122465
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide (CID 109113837) is 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide is COCCNc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)nn1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide?
The InChIKey is LVWWUZLGLFVZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(2)24-14-6-4-13(5-7-14)19-17(22)15-8-9-16(21-20-15)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide?
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).