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6-methyl-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile

ChemBase ID: 322178
Molecular Formular: C15H18N4O
Molecular Mass: 270.32962
Monoisotopic Mass: 270.14806122
SMILES and InChIs

SMILES:
c1(N2CCC3(CC(=O)NC3)CC2)c(C#N)ccc(n1)C
Canonical SMILES:
N#Cc1ccc(nc1N1CCC2(CC1)CNC(=O)C2)C
InChI:
InChI=1S/C15H18N4O/c1-11-2-3-12(9-16)14(18-11)19-6-4-15(5-7-19)8-13(20)17-10-15/h2-3H,4-8,10H2,1H3,(H,17,20)
InChIKey:
OHECUBOQENUGNN-UHFFFAOYSA-N

Cite this record

CBID:322178 http://www.chembase.cn/molecule-322178.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
IUPAC Traditional name
6-methyl-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
Synonyms
6-methyl-2-(3-oxo-2,8-diazaspiro[4.5]dec-8-yl)nicotinonitrile

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11252323 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.305988  H Acceptors
H Donor LogD (pH = 5.5) 0.6569616 
LogD (pH = 7.4) 0.6617775  Log P 0.6618397 
Molar Refractivity 76.6207 cm3 Polarizability 28.659618 Å3
Polar Surface Area 69.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.34  LOG S -3.04 
Polar Surface Area 69.02 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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