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

C23H25N3O4 — CID 7672280

IUPACN-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14-10-16(3)18(11-15(14)2)19-7-9-23(28)26(25-19)13-22(27)24-20-12-17(29-4)6-8-21(20)30-5/h6-12H,13H2,1-5H3,(H,24,27)
InChIKeyNTYCYIVDIIPHKR-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.49
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (PubChem CID 7672280) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
PubChem CID7672280
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14-10-16(3)18(11-15(14)2)19-7-9-23(28)26(25-19)13-22(27)24-20-12-17(29-4)6-8-21(20)30-5/h6-12H,13H2,1-5H3,(H,24,27)
InChIKeyNTYCYIVDIIPHKR-UHFFFAOYSA-N
XLogP3.49
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7658294
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7671868
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376583

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide (CID 7672280) is N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc(-c3cc(C)c(C)cc3C)ccc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
The InChIKey is NTYCYIVDIIPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14-10-16(3)18(11-15(14)2)19-7-9-23(28)26(25-19)13-22(27)24-20-12-17(29-4)6-8-21(20)30-5/h6-12H,13H2,1-5H3,(H,24,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 7672280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).