6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile

C18H16N4O — CID 95720653

IUPAC6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C18H16N4O/c19-11-13-5-3-8-16(20-13)22-10-4-9-18(12-22)14-6-1-2-7-15(14)21-17(18)23/h1-3,5-8H,4,9-10,12H2,(H,21,23)/t18-/m1/s1
InChIKeyAHCVSEJUTVKCJO-GOSISDBHSA-N
MW304.35 g/mol
LogP2.44
Rot. Bonds1

About 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile

6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile (PubChem CID 95720653) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile
PubChem CID95720653
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)n1
InChIInChI=1S/C18H16N4O/c19-11-13-5-3-8-16(20-13)22-10-4-9-18(12-22)14-6-1-2-7-15(14)21-17(18)23/h1-3,5-8H,4,9-10,12H2,(H,21,23)/t18-/m1/s1
InChIKeyAHCVSEJUTVKCJO-GOSISDBHSA-N
XLogP2.44
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile (CID 95720653) is 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)n1.
What is the InChIKey of 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile?
The InChIKey is AHCVSEJUTVKCJO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N4O/c19-11-13-5-3-8-16(20-13)22-10-4-9-18(12-22)14-6-1-2-7-15(14)21-17(18)23/h1-3,5-8H,4,9-10,12H2,(H,21,23)/t18-/m1/s1.
What are the key properties of 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile?
6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 95720653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).