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

2-amino-6-(2,2-dimethyloxan-4-yl)-5-methyl-4-(piperidin-4-yl)pyridine-3-carbonitrile

ChemBase ID: 470538
Molecular Formular: C19H28N4O
Molecular Mass: 328.45182
Monoisotopic Mass: 328.22631154
SMILES and InChIs

SMILES:
c1(c(nc(c(c1C1CCNCC1)C)C1CC(OCC1)(C)C)N)C#N
Canonical SMILES:
N#Cc1c(N)nc(c(c1C1CCNCC1)C)C1CCOC(C1)(C)C
InChI:
InChI=1S/C19H28N4O/c1-12-16(13-4-7-22-8-5-13)15(11-20)18(21)23-17(12)14-6-9-24-19(2,3)10-14/h13-14,22H,4-10H2,1-3H3,(H2,21,23)
InChIKey:
DZDGEJHFIZEHMJ-UHFFFAOYSA-N

Cite this record

CBID:470538 http://www.chembase.cn/molecule-470538.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6-(2,2-dimethyloxan-4-yl)-5-methyl-4-(piperidin-4-yl)pyridine-3-carbonitrile
IUPAC Traditional name
2-amino-6-(2,2-dimethyloxan-4-yl)-5-methyl-4-(piperidin-4-yl)pyridine-3-carbonitrile
Synonyms
2-amino-6-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5-methyl-4-piperidin-4-ylnicotinonitrile

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33971879 external link Add to cart
Data Source Data ID Price
ChemBridge
33971879 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) -1.0123442  LogD (pH = 7.4) -0.2599466 
Log P 2.2452152  Molar Refractivity 97.498 cm3
Polarizability 36.869274 Å3 Polar Surface Area 83.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.3  LOG S -3.67 
Polar Surface Area 83.96 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