N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide

C27H31N3O3 — CID 26278956

IUPACN-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)C(C1CC1)C1CC1
InChIInChI=1S/C27H31N3O3/c1-29(25(19-10-11-19)20-12-13-20)23(31)17-27(21-7-3-2-4-8-21)18-24(32)30(26(27)33)16-14-22-9-5-6-15-28-22/h2-9,15,19-20,25H,10-14,16-18H2,1H3/t27-/m0/s1
InChIKeyHRMXYEZNUULPDO-MHZLTWQESA-N
MW445.56 g/mol
LogP3.36
Rot. Bonds9

About N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide

N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 26278956) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID26278956
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)C(C1CC1)C1CC1
InChIInChI=1S/C27H31N3O3/c1-29(25(19-10-11-19)20-12-13-20)23(31)17-27(21-7-3-2-4-8-21)18-24(32)30(26(27)33)16-14-22-9-5-6-15-28-22/h2-9,15,19-20,25H,10-14,16-18H2,1H3/t27-/m0/s1
InChIKeyHRMXYEZNUULPDO-MHZLTWQESA-N
XLogP3.36
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide 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

2-[(3R)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetic acid
CID 125170964
2-[2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-(2-hydroxy-2-phenylethyl)-N-methylacetamide
CID 45196517
2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 42168870
(3R)-3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 29085729
(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 98585583
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 45219975
(3S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42379886
(3S)-3-[2-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42429801
ethyl 2-[(2S)-1-[2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 26359168
3-[2-(2-methyl-4-phenylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 118754742
N-(dicyclopropylmethyl)-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45171587
2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42167233

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide (CID 26278956) is N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide is CN(C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O)C(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is HRMXYEZNUULPDO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N3O3/c1-29(25(19-10-11-19)20-12-13-20)23(31)17-27(21-7-3-2-4-8-21)18-24(32)30(26(27)33)16-14-22-9-5-6-15-28-22/h2-9,15,19-20,25H,10-14,16-18H2,1H3/t27-/m0/s1.
What are the key properties of N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide?
N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 445.56 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 26278956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).