N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C23H24N4O6 — CID 121050271

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C23H24N4O6/c1-14(28)24-16-6-9-19(31-2)18(12-16)25-22(29)13-27-23(30)10-7-17(26-27)15-5-8-20(32-3)21(11-15)33-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyCGUVNGFFRBOZBV-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.53
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050271) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050271
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C23H24N4O6/c1-14(28)24-16-6-9-19(31-2)18(12-16)25-22(29)13-27-23(30)10-7-17(26-27)15-5-8-20(32-3)21(11-15)33-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyCGUVNGFFRBOZBV-UHFFFAOYSA-N
XLogP2.53
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376359
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 121050162
N-(4-butylphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659999
ethyl 4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376352
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899588
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7659969
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121050267
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95394973

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050271) is N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CGUVNGFFRBOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-14(28)24-16-6-9-19(31-2)18(12-16)25-22(29)13-27-23(30)10-7-17(26-27)15-5-8-20(32-3)21(11-15)33-4/h5-12H,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).