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N,2-dimethyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

ChemBase ID: 321261
Molecular Formular: C19H26N6O2
Molecular Mass: 370.44874
Monoisotopic Mass: 370.2117241
SMILES and InChIs

SMILES:
n1c(noc1CN(C(=O)C1N(CC2(C1)CCNCC2)C)C)c1ccncc1
Canonical SMILES:
CN(C(=O)C1CC2(CN1C)CCNCC2)Cc1onc(n1)c1ccncc1
InChI:
InChI=1S/C19H26N6O2/c1-24(12-16-22-17(23-27-16)14-3-7-20-8-4-14)18(26)15-11-19(13-25(15)2)5-9-21-10-6-19/h3-4,7-8,15,21H,5-6,9-13H2,1-2H3
InChIKey:
FGCKNACMOKPACJ-UHFFFAOYSA-N

Cite this record

CBID:321261 http://www.chembase.cn/molecule-321261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,2-dimethyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
IUPAC Traditional name
N,2-dimethyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
Synonyms
N,2-dimethyl-N-{[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -5.369644  LogD (pH = 7.4) -3.0400486 
Log P 0.4124533  Molar Refractivity 112.8844 cm3
Polarizability 39.73027 Å3 Polar Surface Area 87.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.44  LOG S -2.28 
Polar Surface Area 87.39 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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