Molecule

ID:920567

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₄O
Molecular Mass
322.4041838645935
Exact Mass
322.1793601512909
Charge
0
InChI
InChI=1/C19H22N4O/c1-13-6-8-21-17(9-13)22-12-15-10-18(24)23(16-4-5-16)19(15)14-3-2-7-20-11-14/h2-3,6-9,11,15-16,19H,4-5,10,12H2,1H3,(H,21,22)/t15-,19-/s3
InChIKey
KWZTXRXMTGAEHY-KDYPRWQGNA-N
Canonic Smiles
Cc1ccnc(c1)NC[C@@H]3CC(=O)N(C2CC2)[C@H]3c4cccnc4
Isomeric Smiles
Cc1ccnc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)c1
Calculated Properties
Provided by Enamine
CLogP
1.07
H Donor
1
Polar Surface Area
58.12
Rotatable Bonds
5
JChem
Log P
1.50
LogD (pH = 7.4)
1.20
LogD (pH = 5.5)
0.07
Rotatable Bonds
5
H Donor
1
H Acceptors
4
Polar Surface Area
58.12
Molar Refractivity
93
Polarizability
35.72
Lipinski's Rule of Five
true
LOG S
-2.76
Data Source
Commercial Catalog
Enamine
Z2053826021
Names and Identifiers
IUPAC name
(4S,5R)-1-cyclopropyl-4-{[(4-methylpyridin-2-yl)amino]methyl}-5-(pyridin-3-yl)pyrrolidin-2-one
IUPAC Traditional name
(4S,5R)-1-cyclopropyl-4-{[(4-methylpyridin-2-yl)amino]methyl}-5-(pyridin-3-yl)pyrrolidin-2-one
Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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