1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

C24H22N4O2 — CID 91955666

IUPAC1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c29-23-11-10-22(28(23)16-17-15-25-21-9-2-1-8-20(17)21)24(30)26-18-6-5-7-19(14-18)27-12-3-4-13-27/h1-9,12-15,22,25H,10-11,16H2,(H,26,30)
InChIKeyANYALMRJKNDQJE-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.09
Rot. Bonds5

About 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 91955666) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID91955666
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c29-23-11-10-22(28(23)16-17-15-25-21-9-2-1-8-20(17)21)24(30)26-18-6-5-7-19(14-18)27-12-3-4-13-27/h1-9,12-15,22,25H,10-11,16H2,(H,26,30)
InChIKeyANYALMRJKNDQJE-UHFFFAOYSA-N
XLogP4.09
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 91955666) is 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ANYALMRJKNDQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23-11-10-22(28(23)16-17-15-25-21-9-2-1-8-20(17)21)24(30)26-18-6-5-7-19(14-18)27-12-3-4-13-27/h1-9,12-15,22,25H,10-11,16H2,(H,26,30).
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).