N,N-bis(prop-2-en-1-yl)-2-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)acetamide

• ChemBase ID: 349609
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c1(n2c(nn1)cccc2)C1CN(CC(=O)N(CC=C)CC=C)CCC1
• Canonical SMILES: C=CCN(C(=O)CN1CCCC(C1)c1nnc2n1cccc2)CC=C
• InChI: InChI=1S/C19H25N5O/c1-3-10-23(11-4-2)18(25)15-22-12-7-8-16(14-22)19-21-20-17-9-5-6-13-24(17)19/h3-6,9,13,16H,1-2,7-8,10-12,14-15H2
• InChIKey: SGTCWGKXTOJWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(prop-2-en-1-yl)-2-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)acetamide
• IUPAC Traditional name: N,N-bis(prop-2-en-1-yl)-2-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidin-1-yl)acetamide
• Synonyms: N,N-diallyl-2-(3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpiperidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8894941
• LogD (pH = 7.4): 0.76569104
• Log P: 1.1455883
• Molar Refractivity: 102.1912 cm^3
• Polarizability: 37.78876 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -3.19
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7