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N-(6-methoxypyridin-3-yl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carboxamide

ChemBase ID: 370806
Molecular Formular: C20H24N4O2
Molecular Mass: 352.43016
Monoisotopic Mass: 352.18992603
SMILES and InChIs

SMILES:
C(=O)(N1CCN(CC1)C/C=C/c1ccccc1)Nc1cnc(cc1)OC
Canonical SMILES:
COc1ccc(cn1)NC(=O)N1CCN(CC1)C/C=C/c1ccccc1
InChI:
InChI=1S/C20H24N4O2/c1-26-19-10-9-18(16-21-19)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3,(H,22,25)/b8-5+
InChIKey:
KIXNRZDNIPMVFS-VMPITWQZSA-N

Cite this record

CBID:370806 http://www.chembase.cn/molecule-370806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-methoxypyridin-3-yl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carboxamide
IUPAC Traditional name
N-(6-methoxypyridin-3-yl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carboxamide
Synonyms
N-(6-methoxypyridin-3-yl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.428635  H Acceptors
H Donor LogD (pH = 5.5) 1.6742802 
LogD (pH = 7.4) 2.6725326  Log P 2.725385 
Molar Refractivity 104.9922 cm3 Polarizability 39.24054 Å3
Polar Surface Area 57.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.59  LOG S -3.98 
Polar Surface Area 57.7 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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