N-cyclopropyl-4-(3-fluoropyridin-4-yl)piperazine-2-carboxamide

• ChemBase ID: 732678
• Molecular Formular: C13H17FN4O
• Molecular Mass: 264.2986832
• Monoisotopic Mass: 264.1386394
• SMILES: N1(c2c(F)cncc2)CC(C(=O)NC2CC2)NCC1
• Canonical SMILES: O=C(C1NCCN(C1)c1ccncc1F)NC1CC1
• InChI: InChI=1S/C13H17FN4O/c14-10-7-15-4-3-12(10)18-6-5-16-11(8-18)13(19)17-9-1-2-9/h3-4,7,9,11,16H,1-2,5-6,8H2,(H,17,19)
• InChIKey: NDSYTHJATWHNOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-(3-fluoropyridin-4-yl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-4-(3-fluoropyridin-4-yl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-4-(3-fluoro-4-pyridinyl)-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.284229
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3637972
• LogD (pH = 7.4): -0.25109088
• Log P: 0.04262841
• Molar Refractivity: 69.0615 cm^3
• Polarizability: 26.288237 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.45
• LOG S: -2.05
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3