methyl 1-[2-(dimethylamino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate

• ChemBase ID: 191385
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: c1(cn(c(=O)cc1)CCN(C)C)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc(=O)n(c1)CCN(C)C
• InChI: InChI=1S/C11H16N2O3/c1-12(2)6-7-13-8-9(11(15)16-3)4-5-10(13)14/h4-5,8H,6-7H2,1-3H3
• InChIKey: SSXKSOXUQFZCIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-[2-(dimethylamino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
• IUPAC Traditional name: methyl 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-carboxylate

Database IDs

• PubChem SID: 164247295
• PubChem CID: 905617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6675098
• LogD (pH = 7.4): -0.89737636
• Log P: 0.07346375
• Molar Refractivity: 61.7294 cm^3
• Polarizability: 23.300692 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds