N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide

C20H19N3O3 — CID 124591822

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c2)c1
InChIInChI=1S/C20H19N3O3/c1-12-3-2-4-13(7-12)14-8-15(11-21-10-14)20(26)23(16-5-6-16)17-9-18(24)22-19(17)25/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,22,24,25)/t17-/m0/s1
InChIKeyXUEPGLYTQBZNEP-KRWDZBQOSA-N
MW349.39 g/mol
LogP2.08
Rot. Bonds4

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 124591822) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID124591822
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c2)c1
InChIInChI=1S/C20H19N3O3/c1-12-3-2-4-13(7-12)14-8-15(11-21-10-14)20(26)23(16-5-6-16)17-9-18(24)22-19(17)25/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,22,24,25)/t17-/m0/s1
InChIKeyXUEPGLYTQBZNEP-KRWDZBQOSA-N
XLogP2.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-3-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895787
Cmdc.202100576, 18c
CID 156907372
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoyl]amino]butyl]boronic Acid
CID 10271280
(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
N-[(1S)-1-benzyl-2-oxo-2-(3-oxopyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 468480
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986253
N-[2-(3-Methyl-benzoylamino)-ethyl]-nicotinamide
CID 2991660
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
CID 3012797

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide (CID 124591822) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(-c2cncc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is XUEPGLYTQBZNEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-3-2-4-13(7-12)14-8-15(11-21-10-14)20(26)23(16-5-6-16)17-9-18(24)22-19(17)25/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,22,24,25)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-5-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 124591822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).