(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H19N3O2 — CID 52897667

IUPAC(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21
InChIInChI=1S/C20H19N3O2/c1-22-11-10-16-17(8-5-9-18(16)22)21-20(25)14-12-19(24)23(13-14)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyXTHKFVNUDZLNDO-CQSZACIVSA-N
MW333.39 g/mol
LogP3.17
Rot. Bonds3

About (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 52897667) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID52897667
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21
InChIInChI=1S/C20H19N3O2/c1-22-11-10-16-17(8-5-9-18(16)22)21-20(25)14-12-19(24)23(13-14)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyXTHKFVNUDZLNDO-CQSZACIVSA-N
XLogP3.17
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52898685
(3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1077272
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 9350723
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 34909716
(3R)-1-(4-chlorophenyl)-N-(2-methylquinolin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51868467
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 52897667) is (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cn1ccc2c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc21.
What is the InChIKey of (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is XTHKFVNUDZLNDO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22-11-10-16-17(8-5-9-18(16)22)21-20(25)14-12-19(24)23(13-14)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 52897667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).