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1-ethyl-N-[(2-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,2-dihydropyridine-4-carboxamide

ChemBase ID: 370247
Molecular Formular: C21H26N2O3
Molecular Mass: 354.44274
Monoisotopic Mass: 354.1943427
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2c(C)cccc2)CC2OCCC2)cc(=O)n(cc1)CC
Canonical SMILES:
CCn1ccc(cc1=O)C(=O)N(Cc1ccccc1C)CC1CCCO1
InChI:
InChI=1S/C21H26N2O3/c1-3-22-11-10-17(13-20(22)24)21(25)23(15-19-9-6-12-26-19)14-18-8-5-4-7-16(18)2/h4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,1-2H3
InChIKey:
HCBZADFWTOAYMO-UHFFFAOYSA-N

Cite this record

CBID:370247 http://www.chembase.cn/molecule-370247.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-N-[(2-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,2-dihydropyridine-4-carboxamide
IUPAC Traditional name
1-ethyl-N-[(2-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
Synonyms
1-ethyl-N-(2-methylbenzyl)-2-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2-dihydropyridine-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.329292  LogD (pH = 7.4) 2.3292928 
Log P 2.3292928  Molar Refractivity 103.2139 cm3
Polarizability 39.040123 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.52  LOG S -3.08 
Polar Surface Area 51.54 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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