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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide
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ChemBase ID:
341464
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Molecular Formular:
C21H26N4O3
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Molecular Mass:
382.45614
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Monoisotopic Mass:
382.20049071
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SMILES and InChIs
SMILES:
c1(n2c(nc1)CCCC2)NC(=O)c1cc(OCC(=O)N2CCCCC2)ccc1
Canonical SMILES:
O=C(c1cccc(c1)OCC(=O)N1CCCCC1)Nc1cnc2n1CCCC2
InChI:
InChI=1S/C21H26N4O3/c26-20(24-10-3-1-4-11-24)15-28-17-8-6-7-16(13-17)21(27)23-19-14-22-18-9-2-5-12-25(18)19/h6-8,13-14H,1-5,9-12,15H2,(H,23,27)
InChIKey:
BKOAULSPMOMBKJ-UHFFFAOYSA-N
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Cite this record
CBID:341464 http://www.chembase.cn/molecule-341464.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide
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IUPAC Traditional name
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N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide
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Synonyms
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3-(2-oxo-2-piperidin-1-ylethoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.4566555
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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1.199595
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LogD (pH = 7.4)
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1.8366705
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Log P
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1.8653517
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Molar Refractivity
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106.9387 cm3
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Polarizability
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40.29761 Å3
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Polar Surface Area
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76.46 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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1.86
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LOG S
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-3.58
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Polar Surface Area
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76.46 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent