N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide

C22H22ClN3O5 — CID 16800204

IUPACN-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O5/c1-13-5-6-15(11-16(13)23)24-20(27)12-26-21(28)8-7-17(25-26)14-9-18(29-2)22(31-4)19(10-14)30-3/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyMMATUUYPGYQLLQ-UHFFFAOYSA-N
MW443.89 g/mol
LogP3.54
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide (PubChem CID 16800204) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
PubChem CID16800204
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O5/c1-13-5-6-15(11-16(13)23)24-20(27)12-26-21(28)8-7-17(25-26)14-9-18(29-2)22(31-4)19(10-14)30-3/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyMMATUUYPGYQLLQ-UHFFFAOYSA-N
XLogP3.54
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
N-(5-chloro-2-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376713
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885434
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
ethyl 4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376352

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide (CID 16800204) is N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide is COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The InChIKey is MMATUUYPGYQLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-13-5-6-15(11-16(13)23)24-20(27)12-26-21(28)8-7-17(25-26)14-9-18(29-2)22(31-4)19(10-14)30-3/h5-11H,12H2,1-4H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide has a molecular weight of 443.89 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 16800204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).