N-methyl-N-[2-(pyridin-2-yl)ethyl]-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 775028
• Molecular Formular: C19H25N5O2S
• Molecular Mass: 387.4991
• Monoisotopic Mass: 387.17289607
• SMILES: N1(C(=O)c2nsnc2)CC(CCC(=O)N(CCc2ncccc2)C)CCC1
• Canonical SMILES: O=C(N(CCc1ccccn1)C)CCC1CCCN(C1)C(=O)c1nsnc1
• InChI: InChI=1S/C19H25N5O2S/c1-23(12-9-16-6-2-3-10-20-16)18(25)8-7-15-5-4-11-24(14-15)19(26)17-13-21-27-22-17/h2-3,6,10,13,15H,4-5,7-9,11-12,14H2,1H3
• InChIKey: AWKRUXCERJVNME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-methyl-N-[2-(2-pyridinyl)ethyl]-3-[1-(1,2,5-thiadiazol-3-ylcarbonyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.245496
• LogD (pH = 7.4): 1.2888851
• Log P: 1.2894696
• Molar Refractivity: 105.0635 cm^3
• Polarizability: 39.599834 Å^3
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.56
• LOG S: -3.18
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 7