N-benzyl-N-methyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine-4-carboxamide

• ChemBase ID: 387419
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c12n(nnn1)ccc(C(=O)N1CCC(C(=O)N(Cc3ccccc3)C)CC1)c2
• Canonical SMILES: O=C(N(Cc1ccccc1)C)C1CCN(CC1)C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C20H22N6O2/c1-24(14-15-5-3-2-4-6-15)19(27)16-7-10-25(11-8-16)20(28)17-9-12-26-18(13-17)21-22-23-26/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
• InChIKey: BXUDBUJZCYXEMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine-4-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine-4-carboxamide
• Synonyms: N-benzyl-N-methyl-1-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.538918
• LogD (pH = 7.4): 1.5389183
• Log P: 1.5389183
• Molar Refractivity: 117.6327 cm^3
• Polarizability: 39.198414 Å^3
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.16
• LOG S: -3.13
• Polar Surface Area: 83.7 Å^2
• Rotatable Bonds: 4