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

C22H21N3O4 — CID 7672290

IUPACN-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCc1cc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1C
InChIInChI=1S/C22H21N3O4/c1-13-8-15(3)17(9-14(13)2)18-5-7-22(27)25(24-18)11-21(26)23-16-4-6-19-20(10-16)29-12-28-19/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyYIFFNBOLNRTDPD-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.20
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (PubChem CID 7672290) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
PubChem CID7672290
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCc1cc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1C
InChIInChI=1S/C22H21N3O4/c1-13-8-15(3)17(9-14(13)2)18-5-7-22(27)25(24-18)11-21(26)23-16-4-6-19-20(10-16)29-12-28-19/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyYIFFNBOLNRTDPD-UHFFFAOYSA-N
XLogP3.20
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766
N-(1,3-benzodioxol-5-yl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665617
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55824767
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 121051298
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 50812887
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073396
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672237
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248071

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (CID 7672290) is N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is Cc1cc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The InChIKey is YIFFNBOLNRTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-8-15(3)17(9-14(13)2)18-5-7-22(27)25(24-18)11-21(26)23-16-4-6-19-20(10-16)29-12-28-19/h4-10H,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 7672290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).