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1-cyclohexyl-N3-[(3,5-dimethoxyphenyl)methyl]-N5-methyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

ChemBase ID: 460315
Molecular Formular: C23H29N3O5
Molecular Mass: 427.49346
Monoisotopic Mass: 427.21072104
SMILES and InChIs

SMILES:
c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NC)C(=O)NCc1cc(cc(c1)OC)OC
Canonical SMILES:
CNC(=O)c1cn(cc(c1=O)C(=O)NCc1cc(OC)cc(c1)OC)C1CCCCC1
InChI:
InChI=1S/C23H29N3O5/c1-24-22(28)19-13-26(16-7-5-4-6-8-16)14-20(21(19)27)23(29)25-12-15-9-17(30-2)11-18(10-15)31-3/h9-11,13-14,16H,4-8,12H2,1-3H3,(H,24,28)(H,25,29)
InChIKey:
CZTOQVQNJODZAA-UHFFFAOYSA-N

Cite this record

CBID:460315 http://www.chembase.cn/molecule-460315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexyl-N3-[(3,5-dimethoxyphenyl)methyl]-N5-methyl-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
IUPAC Traditional name
1-cyclohexyl-N3-[(3,5-dimethoxyphenyl)methyl]-N5-methyl-4-oxopyridine-3,5-dicarboxamide
Synonyms
1-cyclohexyl-N-(3,5-dimethoxybenzyl)-N'-methyl-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

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 14.721589  H Acceptors
H Donor LogD (pH = 5.5) 1.8731536 
LogD (pH = 7.4) 1.8731538  Log P 1.8731538 
Molar Refractivity 117.0507 cm3 Polarizability 44.70013 Å3
Polar Surface Area 96.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.33  LOG S -5.81 
Polar Surface Area 98.66 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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