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3-acetyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

ChemBase ID: 321221
Molecular Formular: C19H21N3O2
Molecular Mass: 323.38894
Monoisotopic Mass: 323.16337693
SMILES and InChIs

SMILES:
c1(c2c(cnc1C)CNCC2)CNC(=O)c1cc(C(=O)C)ccc1
Canonical SMILES:
O=C(c1cccc(c1)C(=O)C)NCc1c(C)ncc2c1CCNC2
InChI:
InChI=1S/C19H21N3O2/c1-12-18(17-6-7-20-9-16(17)10-21-12)11-22-19(24)15-5-3-4-14(8-15)13(2)23/h3-5,8,10,20H,6-7,9,11H2,1-2H3,(H,22,24)
InChIKey:
PPABHGDDZDKAGQ-UHFFFAOYSA-N

Cite this record

CBID:321221 http://www.chembase.cn/molecule-321221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-acetyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
IUPAC Traditional name
3-acetyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
Synonyms
3-acetyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

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 14.376798  H Acceptors
H Donor LogD (pH = 5.5) -2.1872253 
LogD (pH = 7.4) -0.65498275  Log P 0.8416179 
Molar Refractivity 94.0407 cm3 Polarizability 35.4301 Å3
Polar Surface Area 71.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.82  LOG S -0.96 
Polar Surface Area 71.09 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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