N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C21H20N4O3 — CID 91955626

IUPACN-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N4O3/c22-20(27)13-4-3-5-15(10-13)24-21(28)18-8-9-19(26)25(18)12-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,18,23H,8-9,12H2,(H2,22,27)(H,24,28)
InChIKeyXFYDSVVRMHFSNS-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.40
Rot. Bonds5

About N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955626) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955626
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N4O3/c22-20(27)13-4-3-5-15(10-13)24-21(28)18-8-9-19(26)25(18)12-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,18,23H,8-9,12H2,(H2,22,27)(H,24,28)
InChIKeyXFYDSVVRMHFSNS-UHFFFAOYSA-N
XLogP2.40
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 91955626) is N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is NC(=O)c1cccc(NC(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XFYDSVVRMHFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-20(27)13-4-3-5-15(10-13)24-21(28)18-8-9-19(26)25(18)12-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,18,23H,8-9,12H2,(H2,22,27)(H,24,28).
What are the key properties of N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).