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[(6-methylpyridin-2-yl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine

ChemBase ID: 470778
Molecular Formular: C17H22N4O
Molecular Mass: 298.38278
Monoisotopic Mass: 298.17936134
SMILES and InChIs

SMILES:
c1(N2CCOCC2)c(CNCc2nc(ccc2)C)cccn1
Canonical SMILES:
Cc1cccc(n1)CNCc1cccnc1N1CCOCC1
InChI:
InChI=1S/C17H22N4O/c1-14-4-2-6-16(20-14)13-18-12-15-5-3-7-19-17(15)21-8-10-22-11-9-21/h2-7,18H,8-13H2,1H3
InChIKey:
CIRXVKBVCREUIF-UHFFFAOYSA-N

Cite this record

CBID:470778 http://www.chembase.cn/molecule-470778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(6-methylpyridin-2-yl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine
IUPAC Traditional name
[(6-methylpyridin-2-yl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine
Synonyms
1-(6-methyl-2-pyridinyl)-N-{[2-(4-morpholinyl)-3-pyridinyl]methyl}methanamine

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.30322033  LogD (pH = 7.4) 1.2674139 
Log P 1.5175658  Molar Refractivity 87.4907 cm3
Polarizability 33.563034 Å3 Polar Surface Area 50.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.54  LOG S -2.59 
Polar Surface Area 50.28 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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