N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide

C17H22N4O3 — CID 109114105

IUPACN-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-10-18-16-9-8-15(20-21-16)17(22)19-12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMHCKOWANZDIFLM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.86
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114105) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114105
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-10-18-16-9-8-15(20-21-16)17(22)19-12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMHCKOWANZDIFLM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109114110
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114105) is N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)NCc2ccc(OC)cc2)nn1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is MHCKOWANZDIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-11-3-10-18-16-9-8-15(20-21-16)17(22)19-12-13-4-6-14(24-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).