2,8-bis(pyridin-2-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

• ChemBase ID: 224085
• Molecular Formular: C21H13N5O2
• Molecular Mass: 367.36022
• Monoisotopic Mass: 367.10692468
• SMILES: n1(c(=O)c2c(nc3c(c(=O)n(cc3)c3ncccc3)c2)cc1)c1ncccc1
• Canonical SMILES: O=c1c2cc3c(nc2ccn1c1ccccn1)ccn(c3=O)c1ccccn1
• InChI: InChI=1S/C21H13N5O2/c27-20-14-13-15-17(8-12-26(21(15)28)19-6-2-4-10-23-19)24-16(14)7-11-25(20)18-5-1-3-9-22-18/h1-13H
• InChIKey: LLGPXGSBPVTBHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-bis(pyridin-2-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione
• IUPAC Traditional name: 2,8-bis(pyridin-2-yl)pyrido[4,3-b]1,6-naphthyridine-1,9-dione

Database IDs

• PubChem SID: 164279995
• PubChem CID: 43865202

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.441225
• LogD (pH = 7.4): 2.4416966
• Log P: 2.4417026
• Molar Refractivity: 103.4243 cm^3
• Polarizability: 38.434914 Å^3
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds