2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide

C20H19N5O — CID 70339480

IUPAC2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESN#Cc1ccc2c(C3CCN(CC(=O)Nc4ccccn4)C3)c[nH]c2c1
InChIInChI=1S/C20H19N5O/c21-10-14-4-5-16-17(11-23-18(16)9-14)15-6-8-25(12-15)13-20(26)24-19-3-1-2-7-22-19/h1-5,7,9,11,15,23H,6,8,12-13H2,(H,22,24,26)
InChIKeyMZLKHTZRUIYLCF-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.86
Rot. Bonds4

About 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide

2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 70339480) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID70339480
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESN#Cc1ccc2c(C3CCN(CC(=O)Nc4ccccn4)C3)c[nH]c2c1
InChIInChI=1S/C20H19N5O/c21-10-14-4-5-16-17(11-23-18(16)9-14)15-6-8-25(12-15)13-20(26)24-19-3-1-2-7-22-19/h1-5,7,9,11,15,23H,6,8,12-13H2,(H,22,24,26)
InChIKeyMZLKHTZRUIYLCF-UHFFFAOYSA-N
XLogP2.86
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide (CID 70339480) is 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide is N#Cc1ccc2c(C3CCN(CC(=O)Nc4ccccn4)C3)c[nH]c2c1.
What is the InChIKey of 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is MZLKHTZRUIYLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-10-14-4-5-16-17(11-23-18(16)9-14)15-6-8-25(12-15)13-20(26)24-19-3-1-2-7-22-19/h1-5,7,9,11,15,23H,6,8,12-13H2,(H,22,24,26).
What are the key properties of 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 345.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-cyano-1H-indol-3-yl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 70339480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).