1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide

C16H19N3O3 — CID 178032639

IUPAC1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide
SMILESCN1C(=O)Cc2ccc(C(=O)NCC(=O)N3CCCC3)cc21
InChIInChI=1S/C16H19N3O3/c1-18-13-8-12(5-4-11(13)9-14(18)20)16(22)17-10-15(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,22)
InChIKeyPEKVJERHZSSSBX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.56
Rot. Bonds3

About 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide

1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide (PubChem CID 178032639) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide
PubChem CID178032639
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide
SMILESCN1C(=O)Cc2ccc(C(=O)NCC(=O)N3CCCC3)cc21
InChIInChI=1S/C16H19N3O3/c1-18-13-8-12(5-4-11(13)9-14(18)20)16(22)17-10-15(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,22)
InChIKeyPEKVJERHZSSSBX-UHFFFAOYSA-N
XLogP0.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide (CID 178032639) is 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide is CN1C(=O)Cc2ccc(C(=O)NCC(=O)N3CCCC3)cc21.
What is the InChIKey of 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide?
The InChIKey is PEKVJERHZSSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-13-8-12(5-4-11(13)9-14(18)20)16(22)17-10-15(21)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,22).
What are the key properties of 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide?
1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indole-6-carboxamide is sourced from PubChem (CID 178032639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).