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

N-benzyl-N-[(3-methylpyridin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

ChemBase ID: 370735
Molecular Formular: C21H25N3O2
Molecular Mass: 351.4421
Monoisotopic Mass: 351.19467706
SMILES and InChIs

SMILES:
N1(C(C(=O)N(Cc2ncccc2C)Cc2ccccc2)C)C(=O)CCC1
Canonical SMILES:
O=C(C(N1CCCC1=O)C)N(Cc1ncccc1C)Cc1ccccc1
InChI:
InChI=1S/C21H25N3O2/c1-16-8-6-12-22-19(16)15-23(14-18-9-4-3-5-10-18)21(26)17(2)24-13-7-11-20(24)25/h3-6,8-10,12,17H,7,11,13-15H2,1-2H3
InChIKey:
YWTCAQUVHLKJRG-UHFFFAOYSA-N

Cite this record

CBID:370735 http://www.chembase.cn/molecule-370735.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-N-[(3-methylpyridin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
IUPAC Traditional name
N-benzyl-N-[(3-methylpyridin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
Synonyms
N-benzyl-N-[(3-methylpyridin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18315686 external link Add to cart
Data Source Data ID Price
ChemBridge
18315686 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) 2.1003938  LogD (pH = 7.4) 2.156621 
Log P 2.1573908  Molar Refractivity 100.936 cm3
Polarizability 39.044968 Å3 Polar Surface Area 53.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.79  LOG S -1.99 
Polar Surface Area 53.51 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