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N,N-dimethyl-2-[4-(morpholine-4-carbonyl)pyridin-2-yl]aniline

ChemBase ID: 322559
Molecular Formular: C18H21N3O2
Molecular Mass: 311.37824
Monoisotopic Mass: 311.16337693
SMILES and InChIs

SMILES:
C(=O)(N1CCOCC1)c1cc(c2c(N(C)C)cccc2)ncc1
Canonical SMILES:
O=C(c1ccnc(c1)c1ccccc1N(C)C)N1CCOCC1
InChI:
InChI=1S/C18H21N3O2/c1-20(2)17-6-4-3-5-15(17)16-13-14(7-8-19-16)18(22)21-9-11-23-12-10-21/h3-8,13H,9-12H2,1-2H3
InChIKey:
OJGWVRQWBAJCDV-UHFFFAOYSA-N

Cite this record

CBID:322559 http://www.chembase.cn/molecule-322559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-2-[4-(morpholine-4-carbonyl)pyridin-2-yl]aniline
IUPAC Traditional name
N,N-dimethyl-2-[4-(morpholine-4-carbonyl)pyridin-2-yl]aniline
Synonyms
N,N-dimethyl-2-[4-(morpholin-4-ylcarbonyl)pyridin-2-yl]aniline

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11308720 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) 1.958804  LogD (pH = 7.4) 1.9759617 
Log P 1.976185  Molar Refractivity 91.0402 cm3
Polarizability 35.368042 Å3 Polar Surface Area 45.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.64  LOG S -2.02 
Polar Surface Area 45.67 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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