N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C25H21N3O3 — CID 170265302

IUPACN-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1ccc(Oc2cccc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)c2)cc1
InChIInChI=1S/C25H21N3O3/c1-18-10-12-21(13-11-18)31-22-9-5-8-20(16-22)26-24(29)17-28-25(30)15-14-23(27-28)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,26,29)
InChIKeyGNUFMDCWUBGIPQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.65
Rot. Bonds6

About N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 170265302) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID170265302
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1ccc(Oc2cccc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)c2)cc1
InChIInChI=1S/C25H21N3O3/c1-18-10-12-21(13-11-18)31-22-9-5-8-20(16-22)26-24(29)17-28-25(30)15-14-23(27-28)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,26,29)
InChIKeyGNUFMDCWUBGIPQ-UHFFFAOYSA-N
XLogP4.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 170265302) is N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1ccc(Oc2cccc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)c2)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is GNUFMDCWUBGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-18-10-12-21(13-11-18)31-22-9-5-8-20(16-22)26-24(29)17-28-25(30)15-14-23(27-28)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 170265302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).