N-methyl-N-[2-(pyridin-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide

• ChemBase ID: 698472
• Molecular Formular: C14H14N6O
• Molecular Mass: 282.30056
• Monoisotopic Mass: 282.1229091
• SMILES: n12c(nnn1)ccc(c2)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)nnn2)CCc1ccccn1
• InChI: InChI=1S/C14H14N6O/c1-19(9-7-12-4-2-3-8-15-12)14(21)11-5-6-13-16-17-18-20(13)10-11/h2-6,8,10H,7,9H2,1H3
• InChIKey: GXUCGJWNLADSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
• Synonyms: N-methyl-N-(2-pyridin-2-ylethyl)tetrazolo[1,5-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8822374
• LogD (pH = 7.4): 0.92562586
• Log P: 0.92621034
• Molar Refractivity: 89.6555 cm^3
• Polarizability: 28.615026 Å^3
• Polar Surface Area: 76.28 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: -0.77
• LOG S: -0.61
• Polar Surface Area: 76.28 Å^2
• Rotatable Bonds: 4