4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide

C17H21N3O3 — CID 4912552

IUPAC4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C17H21N3O3/c1-23-15-6-2-5-13-12(15)11-14(19-13)17(22)18-8-4-10-20-9-3-7-16(20)21/h2,5-6,11,19H,3-4,7-10H2,1H3,(H,18,22)
InChIKeyIRGWMVVDMIEFQA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.92
Rot. Bonds6

About 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide

4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 4912552) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
PubChem CID4912552
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C17H21N3O3/c1-23-15-6-2-5-13-12(15)11-14(19-13)17(22)18-8-4-10-20-9-3-7-16(20)21/h2,5-6,11,19H,3-4,7-10H2,1H3,(H,18,22)
InChIKeyIRGWMVVDMIEFQA-UHFFFAOYSA-N
XLogP1.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide (CID 4912552) is 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NCCCN3CCCC3=O)cc12.
What is the InChIKey of 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is IRGWMVVDMIEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-15-6-2-5-13-12(15)11-14(19-13)17(22)18-8-4-10-20-9-3-7-16(20)21/h2,5-6,11,19H,3-4,7-10H2,1H3,(H,18,22).
What are the key properties of 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide?
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 4912552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).