N,N-dimethyl-6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]pyridine-3-carboxamide

• ChemBase ID: 667571
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: N1(c2ncc(C(=O)N(C)C)cc2)C[C@@H]2N([C@H](CC1)CC2)C
• Canonical SMILES: CN1[C@H]2CC[C@@H]1CN(CC2)c1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C16H24N4O/c1-18(2)16(21)12-4-7-15(17-10-12)20-9-8-13-5-6-14(11-20)19(13)3/h4,7,10,13-14H,5-6,8-9,11H2,1-3H3/t13-,14+/m0/s1
• InChIKey: ZWRFGHNLLBYUQL-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-6-[(1R*,6S*)-9-methyl-3,9-diazabicyclo[4.2.1]non-3-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0578246
• LogD (pH = 7.4): -0.5008325
• Log P: 1.1884781
• Molar Refractivity: 85.3119 cm^3
• Polarizability: 31.885672 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.46
• LOG S: -1.7
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 2