3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide

C24H30N4O3 — CID 46373785

IUPAC3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCCCN(C)c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-27(20-7-4-3-5-8-20)17-6-16-25-23(29)15-18-28-24(30)14-13-22(26-28)19-9-11-21(31-2)12-10-19/h3-5,7-12H,6,13-18H2,1-2H3,(H,25,29)
InChIKeyWTKQTJUABJURSW-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.05
Rot. Bonds10

About 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide

3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide (PubChem CID 46373785) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
PubChem CID46373785
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCCCN(C)c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-27(20-7-4-3-5-8-20)17-6-16-25-23(29)15-18-28-24(30)14-13-22(26-28)19-9-11-21(31-2)12-10-19/h3-5,7-12H,6,13-18H2,1-2H3,(H,25,29)
InChIKeyWTKQTJUABJURSW-UHFFFAOYSA-N
XLogP3.05
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
N-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968544
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46373703
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 24543408
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372560
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92715204
N-(3-butylsulfanylpropyl)-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46373708
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide (CID 46373785) is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide is COc1ccc(C2=NN(CCC(=O)NCCCN(C)c3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide?
The InChIKey is WTKQTJUABJURSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27(20-7-4-3-5-8-20)17-6-16-25-23(29)15-18-28-24(30)14-13-22(26-28)19-9-11-21(31-2)12-10-19/h3-5,7-12H,6,13-18H2,1-2H3,(H,25,29).
What are the key properties of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide?
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide is sourced from PubChem (CID 46373785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).