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

C22H23N3O4 — CID 52898129

IUPAC(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC
InChIInChI=1S/C22H23N3O4/c1-25-19(26)12-16(20(25)15-5-4-6-18(28-2)21(15)29-3)22(27)24-14-7-8-17-13(11-14)9-10-23-17/h4-11,16,20,23H,12H2,1-3H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyVRWLEBBRCHEFGW-JXFKEZNVSA-N
MW393.44 g/mol
LogP3.34
Rot. Bonds5

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

(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 52898129) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID52898129
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC
InChIInChI=1S/C22H23N3O4/c1-25-19(26)12-16(20(25)15-5-4-6-18(28-2)21(15)29-3)22(27)24-14-7-8-17-13(11-14)9-10-23-17/h4-11,16,20,23H,12H2,1-3H3,(H,24,27)/t16-,20-/m0/s1
InChIKeyVRWLEBBRCHEFGW-JXFKEZNVSA-N
XLogP3.34
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-(1H-indol-5-yl)-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 52901485
1-methyl-5-oxo-N-pyridin-2-yl-2-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 52996250
(3R,4R)-N-(1H-indol-5-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 51720497
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
N-(1H-indol-5-yl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 51053405
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248
N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 52905291
N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 45495768
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95625398

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 52898129) is (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC.
What is the InChIKey of (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VRWLEBBRCHEFGW-JXFKEZNVSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25-19(26)12-16(20(25)15-5-4-6-18(28-2)21(15)29-3)22(27)24-14-7-8-17-13(11-14)9-10-23-17/h4-11,16,20,23H,12H2,1-3H3,(H,24,27)/t16-,20-/m0/s1.
What are the key properties of (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52898129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).