N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

C17H22N4O2 — CID 109114172

IUPACN-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCCOC)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-4-12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWPUDMRPUUAHIRH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds8

About N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114172) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114172
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(NCCCOC)nn2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-4-12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWPUDMRPUUAHIRH-UHFFFAOYSA-N
XLogP2.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114172) is N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(NCCCOC)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is WPUDMRPUUAHIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)19-17(22)15-9-10-16(21-20-15)18-11-4-12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).