-
2-(benzyloxy)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
-
ChemBase ID:
340049
-
Molecular Formular:
C19H23N3O2
-
Molecular Mass:
325.40482
-
Monoisotopic Mass:
325.17902699
-
SMILES and InChIs
SMILES:
c1(c2c(cnc1C)CNCC2)CNC(=O)COCc1ccccc1
Canonical SMILES:
O=C(NCc1c(C)ncc2c1CCNC2)COCc1ccccc1
InChI:
InChI=1S/C19H23N3O2/c1-14-18(17-7-8-20-9-16(17)10-21-14)11-22-19(23)13-24-12-15-5-3-2-4-6-15/h2-6,10,20H,7-9,11-13H2,1H3,(H,22,23)
InChIKey:
IZRMFYJHOWYEPX-UHFFFAOYSA-N
-
Cite this record
CBID:340049 http://www.chembase.cn/molecule-340049.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(benzyloxy)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
|
|
|
IUPAC Traditional name
|
2-(benzyloxy)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
|
|
|
Synonyms
|
2-(benzyloxy)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.153222
|
H Acceptors
|
4
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-2.048702
|
LogD (pH = 7.4)
|
-0.51646394
|
Log P
|
0.9801475
|
Molar Refractivity
|
94.0334 cm3
|
Polarizability
|
36.28627 Å3
|
Polar Surface Area
|
63.25 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
2
|
Log P
|
0.96
|
LOG S
|
-1.09
|
Polar Surface Area
|
63.25 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent