N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide

C24H20N4O4 — CID 5308290

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N4O4/c29-23(26-13-17-7-8-21-22(11-17)32-15-31-21)14-28-24(30)19-6-2-1-5-18(19)20(27-28)10-16-4-3-9-25-12-16/h1-9,11-12H,10,13-15H2,(H,26,29)
InChIKeyWITHNEVLOGKMCG-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.43
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 5308290) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID5308290
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N4O4/c29-23(26-13-17-7-8-21-22(11-17)32-15-31-21)14-28-24(30)19-6-2-1-5-18(19)20(27-28)10-16-4-3-9-25-12-16/h1-9,11-12H,10,13-15H2,(H,26,29)
InChIKeyWITHNEVLOGKMCG-UHFFFAOYSA-N
XLogP2.43
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (CID 5308290) is N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is WITHNEVLOGKMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-23(26-13-17-7-8-21-22(11-17)32-15-31-21)14-28-24(30)19-6-2-1-5-18(19)20(27-28)10-16-4-3-9-25-12-16/h1-9,11-12H,10,13-15H2,(H,26,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 428.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 5308290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).