N-[(3S)-2-oxoazepan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 580082
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N[C@@H]1C(=O)NCCCC1
• Canonical SMILES: O=C1NCCCC[C@@H]1NC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C14H16N4O2/c19-13(17-11-3-1-2-6-16-14(11)20)10-4-5-12-15-7-8-18(12)9-10/h4-5,7-9,11H,1-3,6H2,(H,16,20)(H,17,19)/t11-/m0/s1
• InChIKey: LPSOYBOGYPFWGV-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S)-2-oxoazepan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(3S)-2-oxoazepan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(3S)-2-oxoazepan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.69817
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.83926064
• LogD (pH = 7.4): -0.23379193
• Log P: -0.20909503
• Molar Refractivity: 74.6023 cm^3
• Polarizability: 27.685116 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.93
• LOG S: -1.7
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 2