2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide

C23H28N4O3 — CID 3303097

IUPAC2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)NCCCN(C)c3ccccc3)N2)cc1
InChIInChI=1S/C23H28N4O3/c1-26(19-7-4-3-5-8-19)16-6-15-24-22(28)17-27-23(29)14-13-21(25-27)18-9-11-20(30-2)12-10-18/h3-5,7-13,25H,6,14-17H2,1-2H3,(H,24,28)
InChIKeyVZYYVVBBRBNERW-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.42
Rot. Bonds9

About 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide

2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 3303097) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID3303097
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)NCCCN(C)c3ccccc3)N2)cc1
InChIInChI=1S/C23H28N4O3/c1-26(19-7-4-3-5-8-19)16-6-15-24-22(28)17-27-23(29)14-13-21(25-27)18-9-11-20(30-2)12-10-18/h3-5,7-13,25H,6,14-17H2,1-2H3,(H,24,28)
InChIKeyVZYYVVBBRBNERW-UHFFFAOYSA-N
XLogP2.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.42
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-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495110
butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
CID 3477391
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 46373785
dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498
6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
CID 4074598
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 24543408
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 55400881
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide (CID 3303097) is 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide is COc1ccc(C2=CCC(=O)N(CC(=O)NCCCN(C)c3ccccc3)N2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is VZYYVVBBRBNERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26(19-7-4-3-5-8-19)16-6-15-24-22(28)17-27-23(29)14-13-21(25-27)18-9-11-20(30-2)12-10-18/h3-5,7-13,25H,6,14-17H2,1-2H3,(H,24,28).
What are the key properties of 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 3303097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).