2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide

C17H22N4O3 — CID 113039555

IUPAC2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
SMILESCOCCCNc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-10-18-15-8-9-16(21-20-15)19-17(22)12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyKHXDRQCRCYNOOC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.11
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide (PubChem CID 113039555) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
PubChem CID113039555
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
SMILESCOCCCNc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-10-18-15-8-9-16(21-20-15)19-17(22)12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyKHXDRQCRCYNOOC-UHFFFAOYSA-N
XLogP2.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.11
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

2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide (CID 113039555) is 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide is COCCCNc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide?
The InChIKey is KHXDRQCRCYNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-11-3-10-18-15-8-9-16(21-20-15)19-17(22)12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).