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N3-ethyl-N1-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

ChemBase ID: 340153
Molecular Formular: C20H24N4O3
Molecular Mass: 368.42956
Monoisotopic Mass: 368.18484065
SMILES and InChIs

SMILES:
C(=O)(N1CC(C(=O)NCC)CC1)Nc1c(OCc2ncccc2)cccc1
Canonical SMILES:
CCNC(=O)C1CCN(C1)C(=O)Nc1ccccc1OCc1ccccn1
InChI:
InChI=1S/C20H24N4O3/c1-2-21-19(25)15-10-12-24(13-15)20(26)23-17-8-3-4-9-18(17)27-14-16-7-5-6-11-22-16/h3-9,11,15H,2,10,12-14H2,1H3,(H,21,25)(H,23,26)
InChIKey:
AABHEXHSXIVZPW-UHFFFAOYSA-N

Cite this record

CBID:340153 http://www.chembase.cn/molecule-340153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N3-ethyl-N1-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
IUPAC Traditional name
N3-ethyl-N1-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
Synonyms
N~3~-ethyl-N~1~-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.863587  H Acceptors
H Donor LogD (pH = 5.5) 1.3054808 
LogD (pH = 7.4) 1.3132406  Log P 1.313355 
Molar Refractivity 102.8822 cm3 Polarizability 39.093983 Å3
Polar Surface Area 83.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.33  LOG S -2.18 
Polar Surface Area 83.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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