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9-(2-methoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 322347
Molecular Formular: C22H26N4O3
Molecular Mass: 394.46684
Monoisotopic Mass: 394.20049071
SMILES and InChIs

SMILES:
C(=O)(c1c(nccc1)OC)N1CCC2(CN(C(=O)CC2)Cc2ncccc2)CC1
Canonical SMILES:
COc1ncccc1C(=O)N1CCC2(CC1)CCC(=O)N(C2)Cc1ccccn1
InChI:
InChI=1S/C22H26N4O3/c1-29-20-18(6-4-12-24-20)21(28)25-13-9-22(10-14-25)8-7-19(27)26(16-22)15-17-5-2-3-11-23-17/h2-6,11-12H,7-10,13-16H2,1H3
InChIKey:
DCKNHWUHQWUMOH-UHFFFAOYSA-N

Cite this record

CBID:322347 http://www.chembase.cn/molecule-322347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-(2-methoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
9-(2-methoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
9-[(2-methoxypyridin-3-yl)carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11276996 external link Add to cart
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) 0.9454177  LogD (pH = 7.4) 0.9629397 
Log P 0.963168  Molar Refractivity 108.6452 cm3
Polarizability 41.663914 Å3 Polar Surface Area 75.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.58  LOG S -1.27 
Polar Surface Area 75.63 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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