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6-(4-methoxyphenyl)-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]-1,2-dihydropyridin-2-one

ChemBase ID: 321249
Molecular Formular: C22H21N3O3
Molecular Mass: 375.42044
Monoisotopic Mass: 375.15829155
SMILES and InChIs

SMILES:
c1(C(=O)N2C(c3ncccc3)CCC2)c(=O)[nH]c(cc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1ccc(c(=O)[nH]1)C(=O)N1CCCC1c1ccccn1
InChI:
InChI=1S/C22H21N3O3/c1-28-16-9-7-15(8-10-16)18-12-11-17(21(26)24-18)22(27)25-14-4-6-20(25)19-5-2-3-13-23-19/h2-3,5,7-13,20H,4,6,14H2,1H3,(H,24,26)
InChIKey:
OGWWJVOWLZRDPL-UHFFFAOYSA-N

Cite this record

CBID:321249 http://www.chembase.cn/molecule-321249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(4-methoxyphenyl)-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]-1,2-dihydropyridin-2-one
IUPAC Traditional name
6-(4-methoxyphenyl)-3-[2-(pyridin-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
Synonyms
6-(4-methoxyphenyl)-3-{[2-(2-pyridinyl)-1-pyrrolidinyl]carbonyl}-2(1H)-pyridinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11119312 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.5765021  LogD (pH = 7.4) 1.5898526 
Log P 1.590774  Molar Refractivity 107.1013 cm3
Polarizability 40.499306 Å3 Polar Surface Area 71.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 10.11619 
H Acceptors H Donor
Log P 1.76  LOG S -5.05 
Polar Surface Area 75.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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