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1-ethyl-N-methyl-2-oxo-N-[(4-phenoxyphenyl)methyl]-1,2-dihydropyridine-4-carboxamide

ChemBase ID: 470220
Molecular Formular: C22H22N2O3
Molecular Mass: 362.42168
Monoisotopic Mass: 362.16304257
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2ccc(Oc3ccccc3)cc2)C)cc(=O)n(cc1)CC
Canonical SMILES:
CCn1ccc(cc1=O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)C
InChI:
InChI=1S/C22H22N2O3/c1-3-24-14-13-18(15-21(24)25)22(26)23(2)16-17-9-11-20(12-10-17)27-19-7-5-4-6-8-19/h4-15H,3,16H2,1-2H3
InChIKey:
GDBGUCHZGXLPMJ-UHFFFAOYSA-N

Cite this record

CBID:470220 http://www.chembase.cn/molecule-470220.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-N-methyl-2-oxo-N-[(4-phenoxyphenyl)methyl]-1,2-dihydropyridine-4-carboxamide
IUPAC Traditional name
1-ethyl-N-methyl-2-oxo-N-[(4-phenoxyphenyl)methyl]pyridine-4-carboxamide
Synonyms
1-ethyl-N-methyl-2-oxo-N-(4-phenoxybenzyl)-1,2-dihydro-4-pyridinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
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) 2.8975692  LogD (pH = 7.4) 2.8975697 
Log P 2.8975697  Molar Refractivity 106.1588 cm3
Polarizability 40.273914 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.99  LOG S -4.4 
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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