2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C23H17N5O5 — CID 121051298

IUPAC2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C23H17N5O5/c29-21-9-6-17(25-26-21)14-1-4-16(5-2-14)24-22(30)12-28-23(31)10-7-18(27-28)15-3-8-19-20(11-15)33-13-32-19/h1-11H,12-13H2,(H,24,30)(H,26,29)
InChIKeyWKNYDHGHXGFNMM-UHFFFAOYSA-N
MW443.42 g/mol
LogP2.03
Rot. Bonds5

About 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 121051298) has the molecular formula C23H17N5O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID121051298
Molecular FormulaC23H17N5O5
Molecular Weight443.42 g/mol
Exact Mass443.12
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C23H17N5O5/c29-21-9-6-17(25-26-21)14-1-4-16(5-2-14)24-22(30)12-28-23(31)10-7-18(27-28)15-3-8-19-20(11-15)33-13-32-19/h1-11H,12-13H2,(H,24,30)(H,26,29)
InChIKeyWKNYDHGHXGFNMM-UHFFFAOYSA-N
XLogP2.03
TPSA128.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457
N-(4-cyanophenyl)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxopyridazin-1-yl]acetamide
CID 167897019
methyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetate
CID 7663589
N-(1,3-benzodioxol-5-yl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665617
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 3224510
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663979
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55824767
N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672290
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 23612570
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 121051183
6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7663844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 121051298) is 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is WKNYDHGHXGFNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O5/c29-21-9-6-17(25-26-21)14-1-4-16(5-2-14)24-22(30)12-28-23(31)10-7-18(27-28)15-3-8-19-20(11-15)33-13-32-19/h1-11H,12-13H2,(H,24,30)(H,26,29).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 443.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 121051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).