NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[4-(1-cyanocyclopentyl)phenyl]-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide hydrochloride
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IUPAC Traditional name
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N-[4-(1-cyanocyclopentyl)phenyl]-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide hydrochloride
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Synonyms
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4-[3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine
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WEB 2086BS
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WEB 2086
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Apafant
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.69911
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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4.0203733
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LogD (pH = 7.4)
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4.2874675
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Log P
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4.2916036
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Molar Refractivity
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119.1598 cm3
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Polarizability
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43.87182 Å3
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Polar Surface Area
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90.7 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Casals-Stenzel, J., et al.: J. Pharmacol. Exp. Ther., 241, 974 (1987)
- • Adamus, W.S., et al.: Clin. Pharmacol. Ther., 47, 456 (1987)
- • Brecht, H.M., et al.: Arzneim.-Forsch., 41, 51 (1987)
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PATENTS
PATENTS
PubChem Patent
Google Patent