2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide

C19H20N4O2 — CID 71700960

IUPAC2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCC(C)Cn1nc(CC(=O)Nc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)12-23-19(25)15-8-4-3-7-14(15)16(22-23)11-18(24)21-17-9-5-6-10-20-17/h3-10,13H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyIJZTWXBQZFYDND-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.63
Rot. Bonds5

About 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide

2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 71700960) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID71700960
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCC(C)Cn1nc(CC(=O)Nc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)12-23-19(25)15-8-4-3-7-14(15)16(22-23)11-18(24)21-17-9-5-6-10-20-17/h3-10,13H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyIJZTWXBQZFYDND-UHFFFAOYSA-N
XLogP2.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide 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 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide (CID 71700960) is 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide is CC(C)Cn1nc(CC(=O)Nc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is IJZTWXBQZFYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)12-23-19(25)15-8-4-3-7-14(15)16(22-23)11-18(24)21-17-9-5-6-10-20-17/h3-10,13H,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 336.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 71700960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).