(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide

C26H28N4O2 — CID 11464529

IUPAC(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2C(c3ccccc3)CC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C26H28N4O2/c1-19-10-12-22(13-11-19)29-26(32)30-23(20-7-3-2-4-8-20)14-15-24(30)25(31)28-18-16-21-9-5-6-17-27-21/h2-13,17,23-24H,14-16,18H2,1H3,(H,28,31)(H,29,32)/t23?,24-/m0/s1
InChIKeyJZTRJFUQUMODTN-CGAIIQECSA-N
MW428.54 g/mol
LogP4.49
Rot. Bonds6

About (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 11464529) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID11464529
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2C(c3ccccc3)CC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C26H28N4O2/c1-19-10-12-22(13-11-19)29-26(32)30-23(20-7-3-2-4-8-20)14-15-24(30)25(31)28-18-16-21-9-5-6-17-27-21/h2-13,17,23-24H,14-16,18H2,1H3,(H,28,31)(H,29,32)/t23?,24-/m0/s1
InChIKeyJZTRJFUQUMODTN-CGAIIQECSA-N
XLogP4.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide 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

(2S)-5-(4-methylcyclohexa-1,2,5-trien-1-yl)-1-N-(4-methylphenyl)-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 163411096
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
(2S)-1-(4-methylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 46652639
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
1-N-(4-methylphenyl)-4-(pyridine-2-carbonyl)-3-N-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxamide
CID 134085273
N-(2-pyridin-2-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 126830265
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42865264
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882206
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide (CID 11464529) is (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2C(c3ccccc3)CC[C@H]2C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JZTRJFUQUMODTN-CGAIIQECSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-10-12-22(13-11-19)29-26(32)30-23(20-7-3-2-4-8-20)14-15-24(30)25(31)28-18-16-21-9-5-6-17-27-21/h2-13,17,23-24H,14-16,18H2,1H3,(H,28,31)(H,29,32)/t23?,24-/m0/s1.
What are the key properties of (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(4-methylphenyl)-5-phenyl-2-N-(2-pyridin-2-ylethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11464529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).