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

N-methyl-2-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}phenoxy)acetamide

ChemBase ID: 340193
Molecular Formular: C17H17N3O2
Molecular Mass: 295.33578
Monoisotopic Mass: 295.1320768
SMILES and InChIs

SMILES:
c12c(n(cc2)C)nccc1c1c(OCC(=O)NC)cccc1
Canonical SMILES:
CNC(=O)COc1ccccc1c1ccnc2c1ccn2C
InChI:
InChI=1S/C17H17N3O2/c1-18-16(21)11-22-15-6-4-3-5-13(15)12-7-9-19-17-14(12)8-10-20(17)2/h3-10H,11H2,1-2H3,(H,18,21)
InChIKey:
UDELTINIAOXSQQ-UHFFFAOYSA-N

Cite this record

CBID:340193 http://www.chembase.cn/molecule-340193.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}phenoxy)acetamide
IUPAC Traditional name
N-methyl-2-(2-{1-methylpyrrolo[2,3-b]pyridin-4-yl}phenoxy)acetamide
Synonyms
N-methyl-2-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenoxy]acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13838077 external link Add to cart
Data Source Data ID Price
ChemBridge
13838077 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.385641  H Acceptors
H Donor LogD (pH = 5.5) 1.8178679 
LogD (pH = 7.4) 1.8295925  Log P 1.8297443 
Molar Refractivity 84.2398 cm3 Polarizability 34.118423 Å3
Polar Surface Area 56.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.63  LOG S -3.6 
Polar Surface Area 56.15 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