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N-ethyl-2-{4-[2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carbonyl]piperazin-1-yl}acetamide

ChemBase ID: 370230
Molecular Formular: C17H26N4O3
Molecular Mass: 334.41334
Monoisotopic Mass: 334.20049071
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c(cc1)C(C)C)C(=O)N1CCN(CC(=O)NCC)CC1
Canonical SMILES:
CCNC(=O)CN1CCN(CC1)C(=O)c1ccc([nH]c1=O)C(C)C
InChI:
InChI=1S/C17H26N4O3/c1-4-18-15(22)11-20-7-9-21(10-8-20)17(24)13-5-6-14(12(2)3)19-16(13)23/h5-6,12H,4,7-11H2,1-3H3,(H,18,22)(H,19,23)
InChIKey:
KGWWWQDGYWOLIX-UHFFFAOYSA-N

Cite this record

CBID:370230 http://www.chembase.cn/molecule-370230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-2-{4-[2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carbonyl]piperazin-1-yl}acetamide
IUPAC Traditional name
N-ethyl-2-[4-(6-isopropyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetamide
Synonyms
N-ethyl-2-{4-[(6-isopropyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-1-piperazinyl}acetamide

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)
Acid pKa 10.693676  H Acceptors
H Donor LogD (pH = 5.5) -0.9595735 
LogD (pH = 7.4) -0.5754238  Log P -0.56727326 
Molar Refractivity 94.1521 cm3 Polarizability 35.276993 Å3
Polar Surface Area 81.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.14  LOG S -3.07 
Polar Surface Area 85.51 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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