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6-(3-cyclohexylpropanoyl)-N-[(6-methylpyridin-2-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide

ChemBase ID: 320697
Molecular Formular: C24H35N3O2
Molecular Mass: 397.5536
Monoisotopic Mass: 397.27292738
SMILES and InChIs

SMILES:
C12(C(C1)C(=O)NCc1nc(ccc1)C)CCN(C(=O)CCC1CCCCC1)CC2
Canonical SMILES:
Cc1cccc(n1)CNC(=O)C1CC21CCN(CC2)C(=O)CCC1CCCCC1
InChI:
InChI=1S/C24H35N3O2/c1-18-6-5-9-20(26-18)17-25-23(29)21-16-24(21)12-14-27(15-13-24)22(28)11-10-19-7-3-2-4-8-19/h5-6,9,19,21H,2-4,7-8,10-17H2,1H3,(H,25,29)
InChIKey:
WTICFXGHDXWZDS-UHFFFAOYSA-N

Cite this record

CBID:320697 http://www.chembase.cn/molecule-320697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(3-cyclohexylpropanoyl)-N-[(6-methylpyridin-2-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
IUPAC Traditional name
6-(3-cyclohexylpropanoyl)-N-[(6-methylpyridin-2-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
Synonyms
6-(3-cyclohexylpropanoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-1-carboxamide

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 14.233447  H Acceptors
H Donor LogD (pH = 5.5) 2.410159 
LogD (pH = 7.4) 2.4953582  Log P 2.4965634 
Molar Refractivity 113.4849 cm3 Polarizability 44.57011 Å3
Polar Surface Area 62.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.1  LOG S -5.56 
Polar Surface Area 62.3 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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