N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide

C26H24N4O2 — CID 41232811

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C26H24N4O2/c31-25(27-20-15-16-29(18-20)17-19-9-3-1-4-10-19)24-22-13-7-8-14-23(22)26(32)30(28-24)21-11-5-2-6-12-21/h1-14,20H,15-18H2,(H,27,31)/t20-/m1/s1
InChIKeyRAAVOIBPMVIKAG-HXUWFJFHSA-N
MW424.50 g/mol
LogP3.39
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 41232811) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID41232811
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C26H24N4O2/c31-25(27-20-15-16-29(18-20)17-19-9-3-1-4-10-19)24-22-13-7-8-14-23(22)26(32)30(28-24)21-11-5-2-6-12-21/h1-14,20H,15-18H2,(H,27,31)/t20-/m1/s1
InChIKeyRAAVOIBPMVIKAG-HXUWFJFHSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
N-(1-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 17419748
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9219996

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 41232811) is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is RAAVOIBPMVIKAG-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25(27-20-15-16-29(18-20)17-19-9-3-1-4-10-19)24-22-13-7-8-14-23(22)26(32)30(28-24)21-11-5-2-6-12-21/h1-14,20H,15-18H2,(H,27,31)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 41232811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).