5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile

C24H24N6O — CID 67250957

IUPAC5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cn1
InChIInChI=1S/C24H24N6O/c25-14-19-7-6-18(15-26-19)17-30-11-3-8-24(23(30)31)9-12-29(13-10-24)22-16-27-20-4-1-2-5-21(20)28-22/h1-2,4-7,15-16H,3,8-13,17H2
InChIKeyILUXCYHPEAXRSN-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.31
Rot. Bonds3

About 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile

5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile (PubChem CID 67250957) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile
PubChem CID67250957
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cn1
InChIInChI=1S/C24H24N6O/c25-14-19-7-6-18(15-26-19)17-30-11-3-8-24(23(30)31)9-12-29(13-10-24)22-16-27-20-4-1-2-5-21(20)28-22/h1-2,4-7,15-16H,3,8-13,17H2
InChIKeyILUXCYHPEAXRSN-UHFFFAOYSA-N
XLogP3.31
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile (CID 67250957) is 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile is N#Cc1ccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cn1.
What is the InChIKey of 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is ILUXCYHPEAXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-14-19-7-6-18(15-26-19)17-30-11-3-8-24(23(30)31)9-12-29(13-10-24)22-16-27-20-4-1-2-5-21(20)28-22/h1-2,4-7,15-16H,3,8-13,17H2.
What are the key properties of 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile?
5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 412.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 67250957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).