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

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Related Compounds

1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
1'-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 135116488
1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 67280064
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56901703
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 138993220
1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56896792

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).