Home > Compound List > Compound details
864754-25-6 molecular structure
click picture or here to close

N-[(pyridin-4-yl)methyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

ChemBase ID: 811917
Molecular Formular: C19H23BN2O3
Molecular Mass: 338.20852
Monoisotopic Mass: 338.18017301
SMILES and InChIs

SMILES:
c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)NCc1ccncc1
Canonical SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccncc1
InChI:
InChI=1S/C19H23BN2O3/c1-18(2)19(3,4)25-20(24-18)16-7-5-15(6-8-16)17(23)22-13-14-9-11-21-12-10-14/h5-12H,13H2,1-4H3,(H,22,23)
InChIKey:
DDBHWKCYJNXKNG-UHFFFAOYSA-N

Cite this record

CBID:811917 http://www.chembase.cn/molecule-811917.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(pyridin-4-yl)methyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC Traditional name
N-(pyridin-4-ylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Synonyms
N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
CAS Number
864754-25-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31495 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31495 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.250315  H Acceptors
H Donor LogD (pH = 5.5) 3.150719 
LogD (pH = 7.4) 3.261049  Log P 3.2627 
Molar Refractivity 92.1439 cm3 Polarizability 37.36328 Å3
Polar Surface Area 60.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

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