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

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Related Compounds

3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]acetamide
CID 91821014
2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71707056
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]acetamide
CID 99797244
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
1-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-3-propan-2-ylurea
CID 121049412
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9437532
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118

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).