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N-{[6-(5-chloro-2-methoxypyridin-4-yl)pyridin-3-yl]methyl}acetamide

ChemBase ID: 340075
Molecular Formular: C14H14ClN3O2
Molecular Mass: 291.73286
Monoisotopic Mass: 291.07745438
SMILES and InChIs

SMILES:
c1(c2ncc(CNC(=O)C)cc2)c(cnc(c1)OC)Cl
Canonical SMILES:
COc1ncc(c(c1)c1ccc(cn1)CNC(=O)C)Cl
InChI:
InChI=1S/C14H14ClN3O2/c1-9(19)16-6-10-3-4-13(17-7-10)11-5-14(20-2)18-8-12(11)15/h3-5,7-8H,6H2,1-2H3,(H,16,19)
InChIKey:
MZGHRWIUPWRJBE-UHFFFAOYSA-N

Cite this record

CBID:340075 http://www.chembase.cn/molecule-340075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[6-(5-chloro-2-methoxypyridin-4-yl)pyridin-3-yl]methyl}acetamide
IUPAC Traditional name
N-{[6-(5-chloro-2-methoxypyridin-4-yl)pyridin-3-yl]methyl}acetamide
Synonyms
N-[(5'-chloro-2'-methoxy-2,4'-bipyridin-5-yl)methyl]acetamide

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 14.18547  H Acceptors
H Donor LogD (pH = 5.5) 1.5541772 
LogD (pH = 7.4) 1.5563942  Log P 1.5564226 
Molar Refractivity 76.0071 cm3 Polarizability 30.623556 Å3
Polar Surface Area 64.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.03  LOG S -2.21 
Polar Surface Area 64.11 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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