5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile

C19H16N4O2 — CID 56896844

IUPAC5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C19H16N4O2/c20-11-14-6-5-13(12-21-14)17(24)23-9-7-19(8-10-23)15-3-1-2-4-16(15)22-18(19)25/h1-6,12H,7-10H2,(H,22,25)
InChIKeyAOGPCPSPPLBKAP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.08
Rot. Bonds1

About 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile

5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile (PubChem CID 56896844) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
PubChem CID56896844
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C19H16N4O2/c20-11-14-6-5-13(12-21-14)17(24)23-9-7-19(8-10-23)15-3-1-2-4-16(15)22-18(19)25/h1-6,12H,7-10H2,(H,22,25)
InChIKeyAOGPCPSPPLBKAP-UHFFFAOYSA-N
XLogP2.08
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile 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 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile (CID 56896844) is 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile?
The InChIKey is AOGPCPSPPLBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-11-14-6-5-13(12-21-14)17(24)23-9-7-19(8-10-23)15-3-1-2-4-16(15)22-18(19)25/h1-6,12H,7-10H2,(H,22,25).
What are the key properties of 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile?
5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 56896844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).