Product Ingredient Niacinamide hydrochloridefor DB02701 (Nicotinamide)

Name
Niacinamide hydrochloride
Drug
DB02701 (Nicotinamide)
Structure
Thumb
Synonyms
Not Available
UNII
4D16EOF1QW
CAS Number
25334-23-0
Weight
Average: 158.59
Monoisotopic: 158.0246906
Chemical Formula
C6H7ClN2O
InChI Key
OBLVPWTUALCMGD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H
IUPAC Name
pyridine-3-carboxamide hydrochloride
SMILES
Cl.NC(=O)C1=CN=CC=C1
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility50.1 mg/mLALOGPS
logP-0.45ALOGPS
logP-0.39ChemAxon
logS-0.39ALOGPS
pKa (Strongest Acidic)13.39ChemAxon
pKa (Strongest Basic)3.63ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.98 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity32.98 m3·mol-1ChemAxon
Polarizability11.71 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon