(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C21H21N3O3 — CID 52901485

IUPAC(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)cc1
InChIInChI=1S/C21H21N3O3/c1-24-19(25)12-17(20(24)13-3-6-16(27-2)7-4-13)21(26)23-15-5-8-18-14(11-15)9-10-22-18/h3-11,17,20,22H,12H2,1-2H3,(H,23,26)/t17-,20+/m1/s1
InChIKeyXLBYTJHRJFJGBB-XLIONFOSSA-N
MW363.42 g/mol
LogP3.33
Rot. Bonds4

About (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 52901485) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID52901485
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)cc1
InChIInChI=1S/C21H21N3O3/c1-24-19(25)12-17(20(24)13-3-6-16(27-2)7-4-13)21(26)23-15-5-8-18-14(11-15)9-10-22-18/h3-11,17,20,22H,12H2,1-2H3,(H,23,26)/t17-,20+/m1/s1
InChIKeyXLBYTJHRJFJGBB-XLIONFOSSA-N
XLogP3.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 52898129
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
CID 171143889
(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740324
5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
CID 120528918
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 120947049
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 52901485) is (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc([C@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)cc1.
What is the InChIKey of (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XLBYTJHRJFJGBB-XLIONFOSSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24-19(25)12-17(20(24)13-3-6-16(27-2)7-4-13)21(26)23-15-5-8-18-14(11-15)9-10-22-18/h3-11,17,20,22H,12H2,1-2H3,(H,23,26)/t17-,20+/m1/s1.
What are the key properties of (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52901485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).