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

4,6-dimethyl-2-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine-3-carbonitrile

ChemBase ID: 370956
Molecular Formular: C22H24N6
Molecular Mass: 372.46616
Monoisotopic Mass: 372.2062448
SMILES and InChIs

SMILES:
c1(c(c(cc(n1)C)C)C#N)N1CCC(c2n(ccn2)Cc2ncccc2)CC1
Canonical SMILES:
N#Cc1c(C)cc(nc1N1CCC(CC1)c1nccn1Cc1ccccn1)C
InChI:
InChI=1S/C22H24N6/c1-16-13-17(2)26-22(20(16)14-23)27-10-6-18(7-11-27)21-25-9-12-28(21)15-19-5-3-4-8-24-19/h3-5,8-9,12-13,18H,6-7,10-11,15H2,1-2H3
InChIKey:
CDVKPXXSKGZAEK-UHFFFAOYSA-N

Cite this record

CBID:370956 http://www.chembase.cn/molecule-370956.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethyl-2-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridine-3-carbonitrile
IUPAC Traditional name
4,6-dimethyl-2-{4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyridine-3-carbonitrile
Synonyms
4,6-dimethyl-2-{4-[1-(2-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}nicotinonitrile

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18345309 external link Add to cart
Data Source Data ID Price
ChemBridge
18345309 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) 1.9561667  LogD (pH = 7.4) 2.9177191 
Log P 3.045208  Molar Refractivity 110.0194 cm3
Polarizability 41.197594 Å3 Polar Surface Area 70.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.17  LOG S -2.73 
Polar Surface Area 70.63 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