3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide

C27H20N4O2 — CID 55951930

IUPAC3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C27H20N4O2/c32-26(29-24-16-15-21(17-28-24)20-11-5-2-6-12-20)25-22-13-7-8-14-23(22)27(33)31(30-25)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,29,32)
InChIKeyUHCKYUDOPDRMGE-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.76
Rot. Bonds5

About 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide

3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide (PubChem CID 55951930) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
PubChem CID55951930
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C27H20N4O2/c32-26(29-24-16-15-21(17-28-24)20-11-5-2-6-12-20)25-22-13-7-8-14-23(22)27(33)31(30-25)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,29,32)
InChIKeyUHCKYUDOPDRMGE-UHFFFAOYSA-N
XLogP4.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 55658035
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 46434266
3-benzyl-N-(4-carbamoyl-3-chlorophenyl)-4-oxophthalazine-1-carboxamide
CID 39170985
3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide
CID 8503400
3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 78881235
N-[4-(benzimidazol-1-yl)phenyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 55375447
3-benzyl-N-[4-(cyanomethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 30873907
N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
CID 34328016
3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
CID 32905584

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide (CID 55951930) is 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide?
The InChIKey is UHCKYUDOPDRMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-26(29-24-16-15-21(17-28-24)20-11-5-2-6-12-20)25-22-13-7-8-14-23(22)27(33)31(30-25)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,29,32).
What are the key properties of 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide is sourced from PubChem (CID 55951930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).