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3-acetamido-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
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ChemBase ID:
410190
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Molecular Formular:
C19H22N4O3
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Molecular Mass:
354.40298
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Monoisotopic Mass:
354.16919058
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SMILES and InChIs
SMILES:
C(=O)(N1CC(NC(=O)C)CC1)Nc1ccc(OCc2ncccc2)cc1
Canonical SMILES:
CC(=O)NC1CCN(C1)C(=O)Nc1ccc(cc1)OCc1ccccn1
InChI:
InChI=1S/C19H22N4O3/c1-14(24)21-16-9-11-23(12-16)19(25)22-15-5-7-18(8-6-15)26-13-17-4-2-3-10-20-17/h2-8,10,16H,9,11-13H2,1H3,(H,21,24)(H,22,25)
InChIKey:
DOLHWFWECGXDRE-UHFFFAOYSA-N
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Cite this record
CBID:410190 http://www.chembase.cn/molecule-410190.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-acetamido-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
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IUPAC Traditional name
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3-acetamido-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
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Synonyms
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3-(acetylamino)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.979519
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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0.71755415
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LogD (pH = 7.4)
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0.72532856
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Log P
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0.72542876
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Molar Refractivity
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97.748 cm3
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Polarizability
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37.254314 Å3
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Polar Surface Area
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83.56 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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-0.25
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LOG S
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-1.58
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Polar Surface Area
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83.56 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent