(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

C24H22N4O2 — CID 40640857

IUPAC(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C24H22N4O2/c1-16(23(29)26-19-11-7-8-17(14-19)15-25)28-24(30)21-13-6-5-12-20(21)22(27-28)18-9-3-2-4-10-18/h2-4,7-11,14,16H,5-6,12-13H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyHKABJBZNZXDQNG-MRXNPFEDSA-N
MW398.47 g/mol
LogP3.86
Rot. Bonds4

About (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (PubChem CID 40640857) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
PubChem CID40640857
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C24H22N4O2/c1-16(23(29)26-19-11-7-8-17(14-19)15-25)28-24(30)21-13-6-5-12-20(21)22(27-28)18-9-3-2-4-10-18/h2-4,7-11,14,16H,5-6,12-13H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyHKABJBZNZXDQNG-MRXNPFEDSA-N
XLogP3.86
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640849
N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 46263020
N-(2-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 46262991
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate
CID 25249803
N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 50752081
2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide
CID 166402315
N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 23608913
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (CID 40640857) is (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The InChIKey is HKABJBZNZXDQNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(23(29)26-19-11-7-8-17(14-19)15-25)28-24(30)21-13-6-5-12-20(21)22(27-28)18-9-3-2-4-10-18/h2-4,7-11,14,16H,5-6,12-13H2,1H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is sourced from PubChem (CID 40640857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).