N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C19H23N3O3 — CID 52995964

IUPACN-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCO1
InChIInChI=1S/C19H23N3O3/c1-19(2)12-15(10-11-25-19)20-17(23)13-22-18(24)9-8-16(21-22)14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,23)
InChIKeyJMEAAANHVBJLBY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.98
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 52995964) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID52995964
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCO1
InChIInChI=1S/C19H23N3O3/c1-19(2)12-15(10-11-25-19)20-17(23)13-22-18(24)9-8-16(21-22)14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,23)
InChIKeyJMEAAANHVBJLBY-UHFFFAOYSA-N
XLogP1.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 52995964) is N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC1(C)CC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is JMEAAANHVBJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2)12-15(10-11-25-19)20-17(23)13-22-18(24)9-8-16(21-22)14-6-4-3-5-7-14/h3-9,15H,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 52995964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).