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119257-34-0 molecular structure
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N-propyl-N-(pyridin-4-yl)-1H-indol-1-amine

ChemBase ID: 126119
Molecular Formular: C16H17N3
Molecular Mass: 251.32628
Monoisotopic Mass: 251.14224756
SMILES and InChIs

SMILES:
CCCN(c1ccncc1)n1ccc2ccccc12
Canonical SMILES:
CCCN(n1ccc2c1cccc2)c1ccncc1
InChI:
InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
InChIKey:
OTPPJICEBWOCKD-UHFFFAOYSA-N

Cite this record

CBID:126119 http://www.chembase.cn/molecule-126119.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-propyl-N-(pyridin-4-yl)-1H-indol-1-amine
IUPAC Traditional name
besipirdine
Synonyms
Besipirdine
CAS Number
119257-34-0
PubChem SID
162220460
PubChem CID
60691
Chemspider ID
54696
Unique Ingredient Identifier
95PY16J933
Wikipedia Title
Besipirdine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.44481125  LogD (pH = 7.4) 0.067661054 
Log P 3.2136617  Molar Refractivity 89.1568 cm3
Polarizability 30.961668 Å3 Polar Surface Area 21.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Legal Status
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DETAILS

DETAILS

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REFERENCES

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