N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide

C21H16N6O3 — CID 53490859

IUPACN-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1
InChIInChI=1S/C21H16N6O3/c22-12-14-6-8-16(9-7-14)23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)15-4-2-1-3-5-15/h1-9H,10-11,13H2,(H,23,28)
InChIKeyCQSMALJLFWCYER-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.57
Rot. Bonds5

About N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide

N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 53490859) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID53490859
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC NameN-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1
InChIInChI=1S/C21H16N6O3/c22-12-14-6-8-16(9-7-14)23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)15-4-2-1-3-5-15/h1-9H,10-11,13H2,(H,23,28)
InChIKeyCQSMALJLFWCYER-UHFFFAOYSA-N
XLogP2.57
TPSA124.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 53367149
N-(3,4-dimethoxyphenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53367143
N-(4-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53157196
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide
CID 71823958
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53367215
methyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367233
4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 71823930
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 53367267
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53367259
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53367212
butyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367235

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide (CID 53490859) is N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is CQSMALJLFWCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c22-12-14-6-8-16(9-7-14)23-18(28)13-27-19(29)11-10-17(25-27)21-24-20(26-30-21)15-4-2-1-3-5-15/h1-9H,10-11,13H2,(H,23,28).
What are the key properties of N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 400.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 53490859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).