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

C21H23N3O3 — CID 45107088

IUPACN-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)14-13-20(25)22-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25)
InChIKeyJJZQVWWJDGBZGX-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.73
Rot. Bonds7

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

N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 45107088) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID45107088
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NCc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)14-13-20(25)22-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25)
InChIKeyJJZQVWWJDGBZGX-UHFFFAOYSA-N
XLogP2.73
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 46373703
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 46373785
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968544
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 12005350
N-[(4-methoxyphenyl)methyl]-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
CID 25413145
ethyl 4-[3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanoylamino]benzoate
CID 45106345
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029065

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 45107088) is N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is COc1ccc(C2=NN(CCC(=O)NCc3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is JJZQVWWJDGBZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)14-13-20(25)22-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25).
What are the key properties of N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 45107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).