Home > Compound List > Compound details
 molecular structure
click picture or here to close

6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile

ChemBase ID: 865883
Molecular Formular: C16H22N4
Molecular Mass: 270.37268
Monoisotopic Mass: 270.18444672
SMILES and InChIs

SMILES:
c1(N2CCC3(CN(CC3)C)CC2)c(C#N)ccc(n1)C
Canonical SMILES:
N#Cc1ccc(nc1N1CCC2(CC1)CCN(C2)C)C
InChI:
InChI=1S/C16H22N4/c1-13-3-4-14(11-17)15(18-13)20-9-6-16(7-10-20)5-8-19(2)12-16/h3-4H,5-10,12H2,1-2H3
InChIKey:
WDQCKIJQTNXNIM-UHFFFAOYSA-N

Cite this record

CBID:865883 http://www.chembase.cn/molecule-865883.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
IUPAC Traditional name
6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
Synonyms
6-methyl-2-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)nicotinonitrile

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66756890 external link Add to cart
Data Source Data ID Price
ChemBridge
66756890 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.5756167  LogD (pH = 7.4) -0.37172583 
Log P 1.8374159  Molar Refractivity 81.8919 cm3
Polarizability 30.812338 Å3 Polar Surface Area 43.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -2.26 
Polar Surface Area 43.16 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle