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N3-butyl-N5-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

ChemBase ID: 322891
Molecular Formular: C24H26FN3O4
Molecular Mass: 439.4793432
Monoisotopic Mass: 439.19073455
SMILES and InChIs

SMILES:
c1(c(=O)c(cn(c1)Cc1occc1)C(=O)NCCCC)C(=O)NC(c1ccc(cc1)F)C
Canonical SMILES:
CCCCNC(=O)c1cn(Cc2ccco2)cc(c1=O)C(=O)NC(c1ccc(cc1)F)C
InChI:
InChI=1S/C24H26FN3O4/c1-3-4-11-26-23(30)20-14-28(13-19-6-5-12-32-19)15-21(22(20)29)24(31)27-16(2)17-7-9-18(25)10-8-17/h5-10,12,14-16H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31)
InChIKey:
VJWOCSPWNLYIDO-UHFFFAOYSA-N

Cite this record

CBID:322891 http://www.chembase.cn/molecule-322891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N3-butyl-N5-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
IUPAC Traditional name
N3-butyl-N5-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
Synonyms
N-butyl-N'-[1-(4-fluorophenyl)ethyl]-1-(2-furylmethyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11354618 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.0759535  H Acceptors
H Donor LogD (pH = 5.5) 3.0571213 
LogD (pH = 7.4) 3.0571208  Log P 3.0571215 
Molar Refractivity 118.6224 cm3 Polarizability 44.68279 Å3
Polar Surface Area 91.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.08  LOG S -7.07 
Polar Surface Area 93.34 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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