N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C26H34N4O3 — CID 20968544

IUPACN-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCOc1ccc(C2=NN(CC(=O)NCCCN(Cc3ccccc3)C(C)C)C(=O)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-20(2)29(18-21-8-5-4-6-9-21)17-7-16-27-25(31)19-30-26(32)15-14-24(28-30)22-10-12-23(33-3)13-11-22/h4-6,8-13,20H,7,14-19H2,1-3H3,(H,27,31)
InChIKeyDDMMJLBMZUVEIQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.44
Rot. Bonds11

About N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968544) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968544
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCOc1ccc(C2=NN(CC(=O)NCCCN(Cc3ccccc3)C(C)C)C(=O)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-20(2)29(18-21-8-5-4-6-9-21)17-7-16-27-25(31)19-30-26(32)15-14-24(28-30)22-10-12-23(33-3)13-11-22/h4-6,8-13,20H,7,14-19H2,1-3H3,(H,27,31)
InChIKeyDDMMJLBMZUVEIQ-UHFFFAOYSA-N
XLogP3.44
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.44
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-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 46373785
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92715204
N-[3-[benzyl(propan-2-yl)amino]propyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 46371796
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968221
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46373703
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 15997935
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92696574
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514498

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968544) is N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is COc1ccc(C2=NN(CC(=O)NCCCN(Cc3ccccc3)C(C)C)C(=O)CC2)cc1.
What is the InChIKey of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is DDMMJLBMZUVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-20(2)29(18-21-8-5-4-6-9-21)17-7-16-27-25(31)19-30-26(32)15-14-24(28-30)22-10-12-23(33-3)13-11-22/h4-6,8-13,20H,7,14-19H2,1-3H3,(H,27,31).
What are the key properties of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 450.58 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).