N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide

C20H23N3O3 — CID 166333232

IUPACN-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1(C)CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C20H23N3O3/c1-14-5-3-4-6-15(14)11-18(25)22-20(2)9-10-23(13-20)19(26)16-7-8-17(24)21-12-16/h3-8,12H,9-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFLADVASALYPIAB-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.65
Rot. Bonds4

About N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide

N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 166333232) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide
PubChem CID166333232
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1(C)CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C20H23N3O3/c1-14-5-3-4-6-15(14)11-18(25)22-20(2)9-10-23(13-20)19(26)16-7-8-17(24)21-12-16/h3-8,12H,9-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFLADVASALYPIAB-UHFFFAOYSA-N
XLogP1.65
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide (CID 166333232) is N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC1(C)CCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is FLADVASALYPIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-3-4-6-15(14)11-18(25)22-20(2)9-10-23(13-20)19(26)16-7-8-17(24)21-12-16/h3-8,12H,9-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide?
N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 166333232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).