N-[(1R,3R)-3-aminocyclopentyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 408276
• Molecular Formular: C11H14N6O
• Molecular Mass: 246.26846
• Monoisotopic Mass: 246.1229091
• SMILES: c12n(nnn1)ccc(c2)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C11H14N6O/c12-8-1-2-9(6-8)13-11(18)7-3-4-17-10(5-7)14-15-16-17/h3-5,8-9H,1-2,6,12H2,(H,13,18)/t8-,9-/m1/s1
• InChIKey: NRUIDPNDACVKNS-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.562017
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.353221
• LogD (pH = 7.4): -2.80407
• Log P: -0.3344435
• Molar Refractivity: 77.8225 cm^3
• Polarizability: 24.4287 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.24
• LOG S: -1.25
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 2