6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile

C18H17N5O — CID 70763101

IUPAC6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)Nc2ccccc2NC3=O)n1
InChIInChI=1S/C18H17N5O/c19-12-13-4-3-7-16(20-13)23-10-8-18(9-11-23)17(24)21-14-5-1-2-6-15(14)22-18/h1-7,22H,8-11H2,(H,21,24)
InChIKeyUPFYFLBNBCCEKW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.36
Rot. Bonds1

About 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile

6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile (PubChem CID 70763101) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
PubChem CID70763101
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)Nc2ccccc2NC3=O)n1
InChIInChI=1S/C18H17N5O/c19-12-13-4-3-7-16(20-13)23-10-8-18(9-11-23)17(24)21-14-5-1-2-6-15(14)22-18/h1-7,22H,8-11H2,(H,21,24)
InChIKeyUPFYFLBNBCCEKW-UHFFFAOYSA-N
XLogP2.36
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile (CID 70763101) is 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCC3(CC2)Nc2ccccc2NC3=O)n1.
What is the InChIKey of 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile?
The InChIKey is UPFYFLBNBCCEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-12-13-4-3-7-16(20-13)23-10-8-18(9-11-23)17(24)21-14-5-1-2-6-15(14)22-18/h1-7,22H,8-11H2,(H,21,24).
What are the key properties of 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile?
6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 70763101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).