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

N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

ChemBase ID: 866275
Molecular Formular: C19H19N5O2
Molecular Mass: 349.38646
Monoisotopic Mass: 349.15387487
SMILES and InChIs

SMILES:
N1(C(=O)CC(C(=O)NCc2nc3n(c2)cccc3)C1)Cc1ncccc1
Canonical SMILES:
O=C(C1CN(C(=O)C1)Cc1ccccn1)NCc1nc2n(c1)cccc2
InChI:
InChI=1S/C19H19N5O2/c25-18-9-14(11-24(18)12-15-5-1-3-7-20-15)19(26)21-10-16-13-23-8-4-2-6-17(23)22-16/h1-8,13-14H,9-12H2,(H,21,26)
InChIKey:
AKJMYZMCERJVQM-UHFFFAOYSA-N

Cite this record

CBID:866275 http://www.chembase.cn/molecule-866275.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
IUPAC Traditional name
N-{imidazo[1,2-a]pyridin-2-ylmethyl}-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
Synonyms
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66828821 external link Add to cart
Data Source Data ID Price
ChemBridge
66828821 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 13.805541  H Acceptors
H Donor LogD (pH = 5.5) -0.93358374 
LogD (pH = 7.4) -0.3943571  Log P -0.3800266 
Molar Refractivity 95.8617 cm3 Polarizability 36.568253 Å3
Polar Surface Area 79.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.65  LOG S -1.0 
Polar Surface Area 79.6 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