2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide

C19H20N4O2 — CID 6622629

IUPAC2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)21-18(24)12-23-19(25)16-6-4-3-5-15(16)17(22-23)11-14-7-9-20-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeySIFSXMDKYDODTK-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.91
Rot. Bonds5

About 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide

2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 6622629) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
PubChem CID6622629
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-13(2)21-18(24)12-23-19(25)16-6-4-3-5-15(16)17(22-23)11-14-7-9-20-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeySIFSXMDKYDODTK-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
N-(2-methyl-3-nitrophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 46258676
N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 122175759
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875895
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 5308755
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875830

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide (CID 6622629) is 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O.
What is the InChIKey of 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is SIFSXMDKYDODTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)21-18(24)12-23-19(25)16-6-4-3-5-15(16)17(22-23)11-14-7-9-20-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide?
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 336.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 6622629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).