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N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

ChemBase ID: 865967
Molecular Formular: C17H24N4O
Molecular Mass: 300.39866
Monoisotopic Mass: 300.19501141
SMILES and InChIs

SMILES:
c1(nc2n(c1)cccc2C)C(=O)N(CC1(CN(CC1)C)C)C
Canonical SMILES:
CN1CCC(C1)(C)CN(C(=O)c1cn2c(n1)c(C)ccc2)C
InChI:
InChI=1S/C17H24N4O/c1-13-6-5-8-21-10-14(18-15(13)21)16(22)20(4)12-17(2)7-9-19(3)11-17/h5-6,8,10H,7,9,11-12H2,1-4H3
InChIKey:
NLMNYNOACWVWNQ-UHFFFAOYSA-N

Cite this record

CBID:865967 http://www.chembase.cn/molecule-865967.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
IUPAC Traditional name
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
Synonyms
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.5595169  LogD (pH = 7.4) 0.121508524 
Log P 1.53356  Molar Refractivity 89.3896 cm3
Polarizability 33.419838 Å3 Polar Surface Area 40.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.41  LOG S -2.6 
Polar Surface Area 40.85 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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