Metabolite Momelotinib M17 metabolite
- Name
- Momelotinib M17 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M17 metabolite
- Synonyms
- Not Available
- UNII
- D3N4Z27FYS
- CAS number
- Not Available
- Weight
- Average: 344.378
Monoisotopic: 344.138559159 - Chemical Formula
- C19H16N6O
- InChI Key
- IAOCNVXPAVHLPY-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H16N6O/c20-10-12-22-18(26)14-3-1-13(2-4-14)17-9-11-23-19(25-17)24-16-7-5-15(21)6-8-16/h1-9,11H,12,21H2,(H,22,26)(H,23,24,25)
- IUPAC Name
- 4-{2-[(4-aminophenyl)amino]pyrimidin-4-yl}-N-(cyanomethyl)benzamide
- SMILES
- NC1=CC=C(NC2=NC(=CC=N2)C2=CC=C(C=C2)C(=O)NCC#N)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.98 Chemaxon pKa (Strongest Acidic) 14.04 Chemaxon pKa (Strongest Basic) 4.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 116.72 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 99.66 m3·mol-1 Chemaxon Polarizability 36.41 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon