N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

C20H22N4O2 — CID 20875787

IUPACN-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O2/c1-2-3-10-22-19(25)14-24-20(26)17-7-5-4-6-16(17)18(23-24)13-15-8-11-21-12-9-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,22,25)
InChIKeyQCYFQZUEUXNCCQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.30
Rot. Bonds7

About N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 20875787) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID20875787
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O2/c1-2-3-10-22-19(25)14-24-20(26)17-7-5-4-6-16(17)18(23-24)13-15-8-11-21-12-9-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,22,25)
InChIKeyQCYFQZUEUXNCCQ-UHFFFAOYSA-N
XLogP2.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 122175759
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
N-(2-methyl-3-nitrophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 46258676
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995
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
N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875830
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (CID 20875787) is N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is CCCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O.
What is the InChIKey of N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is QCYFQZUEUXNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-3-10-22-19(25)14-24-20(26)17-7-5-4-6-16(17)18(23-24)13-15-8-11-21-12-9-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,22,25).
What are the key properties of N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 20875787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).