N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H17N3O4 — CID 3242615

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H17N3O4/c24-19(21-11-14-6-8-17-18(10-14)27-13-26-17)12-23-20(25)9-7-16(22-23)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,21,24)
InChIKeyKMBXBTKPUNFFIS-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.96
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3242615) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3242615
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H17N3O4/c24-19(21-11-14-6-8-17-18(10-14)27-13-26-17)12-23-20(25)9-7-16(22-23)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,21,24)
InChIKeyKMBXBTKPUNFFIS-UHFFFAOYSA-N
XLogP1.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3242615) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is KMBXBTKPUNFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(21-11-14-6-8-17-18(10-14)27-13-26-17)12-23-20(25)9-7-16(22-23)15-4-2-1-3-5-15/h1-10H,11-13H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).