N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide

C21H21N3O2 — CID 97347224

IUPACN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide
SMILESCN1C(=O)C[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@H]1c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-24-18(25)12-16(20(24)15-6-3-2-4-7-15)13-23-21(26)17-9-5-8-14-10-11-22-19(14)17/h2-11,16,20,22H,12-13H2,1H3,(H,23,26)/t16-,20+/m0/s1
InChIKeyWPXLJZIZUGXVDR-OXJNMPFZSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds4

About N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide

N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide (PubChem CID 97347224) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide
PubChem CID97347224
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide
SMILESCN1C(=O)C[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@H]1c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-24-18(25)12-16(20(24)15-6-3-2-4-7-15)13-23-21(26)17-9-5-8-14-10-11-22-19(14)17/h2-11,16,20,22H,12-13H2,1H3,(H,23,26)/t16-,20+/m0/s1
InChIKeyWPXLJZIZUGXVDR-OXJNMPFZSA-N
XLogP3.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]naphthalene-1-carboxamide
CID 75451387
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-[(1-methylpyrrol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103722337
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 97261954
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
CID 103800511
5-methyl-1-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123684
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide (CID 97347224) is N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide is CN1C(=O)C[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@H]1c1ccccc1.
What is the InChIKey of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide?
The InChIKey is WPXLJZIZUGXVDR-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-18(25)12-16(20(24)15-6-3-2-4-7-15)13-23-21(26)17-9-5-8-14-10-11-22-19(14)17/h2-11,16,20,22H,12-13H2,1H3,(H,23,26)/t16-,20+/m0/s1.
What are the key properties of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide?
N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 97347224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).