3-(dimethylamino)-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 863314
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: C(=O)(N(Cc1ccncc1)CCCn1cncc1)c1cc(N(C)C)ccc1
• Canonical SMILES: CN(c1cccc(c1)C(=O)N(Cc1ccncc1)CCCn1ccnc1)C
• InChI: InChI=1S/C21H25N5O/c1-24(2)20-6-3-5-19(15-20)21(27)26(16-18-7-9-22-10-8-18)13-4-12-25-14-11-23-17-25/h3,5-11,14-15,17H,4,12-13,16H2,1-2H3
• InChIKey: CVYTXWPKIYTGSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: 3-(dimethylamino)-N-[3-(imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: 3-(dimethylamino)-N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2032658
• LogD (pH = 7.4): 1.7825924
• Log P: 1.8529694
• Molar Refractivity: 108.62 cm^3
• Polarizability: 40.448208 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.09
• LOG S: -2.33
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8