N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide

C24H21N3O3 — CID 1192472

IUPACN-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cccc(N2C(=O)C[C@@H](N(C(=O)c3ccncc3)c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C24H21N3O3/c1-16-5-3-7-19(13-16)26(23(29)18-9-11-25-12-10-18)21-15-22(28)27(24(21)30)20-8-4-6-17(2)14-20/h3-14,21H,15H2,1-2H3/t21-/m1/s1
InChIKeySBYPVFXJZORAGW-OAQYLSRUSA-N
MW399.45 g/mol
LogP3.68
Rot. Bonds4

About N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide

N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 1192472) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID1192472
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1cccc(N2C(=O)C[C@@H](N(C(=O)c3ccncc3)c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C24H21N3O3/c1-16-5-3-7-19(13-16)26(23(29)18-9-11-25-12-10-18)21-15-22(28)27(24(21)30)20-8-4-6-17(2)14-20/h3-14,21H,15H2,1-2H3/t21-/m1/s1
InChIKeySBYPVFXJZORAGW-OAQYLSRUSA-N
XLogP3.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dicyclohexylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163802
3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827280
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
2-fluoro-N'-(4-methoxybenzoyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3975852
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
(3S)-1-(3-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1115570
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25038531
N'-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-N'-benzoylpyridine-4-carbohydrazide
CID 3288338
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
CID 23745389
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide (CID 1192472) is N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide is Cc1cccc(N2C(=O)C[C@@H](N(C(=O)c3ccncc3)c3cccc(C)c3)C2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is SBYPVFXJZORAGW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-5-3-7-19(13-16)26(23(29)18-9-11-25-12-10-18)21-15-22(28)27(24(21)30)20-8-4-6-17(2)14-20/h3-14,21H,15H2,1-2H3/t21-/m1/s1.
What are the key properties of N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide?
N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 1192472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).