1-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]cyclopropane-1-carboxamide

• ChemBase ID: 537758
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: C1(C(=O)NCc2c3c(cnc2C)CNCC3)(CC1)C
• Canonical SMILES: O=C(C1(C)CC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H21N3O/c1-10-13(9-18-14(19)15(2)4-5-15)12-3-6-16-7-11(12)8-17-10/h8,16H,3-7,9H2,1-2H3,(H,18,19)
• InChIKey: QMHBETPHNRRLBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]cyclopropane-1-carboxamide
• Synonyms: 1-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.388178
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.263244
• LogD (pH = 7.4): -0.7310064
• Log P: 0.76560646
• Molar Refractivity: 74.8676 cm^3
• Polarizability: 28.956993 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.2
• LOG S: -0.93
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3