3-(1-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 227717
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: n1(cc(c2c1cccc2)CCC(=O)NCc1cnccc1)C
• Canonical SMILES: O=C(CCc1cn(c2c1cccc2)C)NCc1cccnc1
• InChI: InChI=1S/C18H19N3O/c1-21-13-15(16-6-2-3-7-17(16)21)8-9-18(22)20-12-14-5-4-10-19-11-14/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22)
• InChIKey: NCTJWQNFTJJAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: 3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

Database IDs

• PubChem SID: 164283627
• PubChem CID: 25069411

CALCULATED PROPERTIES

• Acid pKa: 15.595113
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2289956
• LogD (pH = 7.4): 2.3005211
• Log P: 2.301535
• Molar Refractivity: 87.1244 cm^3
• Polarizability: 34.59384 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds