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6-(dimethylamino)-N-[2-(1H-indol-1-yl)ethyl]-N-methylpyridine-3-carboxamide

ChemBase ID: 865472
Molecular Formular: C19H22N4O
Molecular Mass: 322.40418
Monoisotopic Mass: 322.17936134
SMILES and InChIs

SMILES:
n1(ccc2c1cccc2)CCN(C(=O)c1cnc(N(C)C)cc1)C
Canonical SMILES:
CN(C(=O)c1ccc(nc1)N(C)C)CCn1ccc2c1cccc2
InChI:
InChI=1S/C19H22N4O/c1-21(2)18-9-8-16(14-20-18)19(24)22(3)12-13-23-11-10-15-6-4-5-7-17(15)23/h4-11,14H,12-13H2,1-3H3
InChIKey:
OGPGZJPBKOSRAW-UHFFFAOYSA-N

Cite this record

CBID:865472 http://www.chembase.cn/molecule-865472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethylamino)-N-[2-(1H-indol-1-yl)ethyl]-N-methylpyridine-3-carboxamide
IUPAC Traditional name
6-(dimethylamino)-N-[2-(indol-1-yl)ethyl]-N-methylpyridine-3-carboxamide
Synonyms
6-(dimethylamino)-N-[2-(1H-indol-1-yl)ethyl]-N-methylnicotinamide

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)
H Acceptors H Donor
LogD (pH = 5.5) 2.7794483  LogD (pH = 7.4) 2.878788 
Log P 2.8802261  Molar Refractivity 97.5872 cm3
Polarizability 37.425873 Å3 Polar Surface Area 41.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.74  LOG S -3.89 
Polar Surface Area 41.37 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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