N-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide

• ChemBase ID: 643449
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N(C(Cc2ncccc2C)C)C)sc(cc1)C1NCCC1
• Canonical SMILES: CC(N(C(=O)c1ccc(s1)C1CCCN1)C)Cc1ncccc1C
• InChI: InChI=1S/C19H25N3OS/c1-13-6-4-10-21-16(13)12-14(2)22(3)19(23)18-9-8-17(24-18)15-7-5-11-20-15/h4,6,8-10,14-15,20H,5,7,11-12H2,1-3H3
• InChIKey: NMCIFNLODLKHFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• Synonyms: N-methyl-N-[1-methyl-2-(3-methyl-2-pyridinyl)ethyl]-5-(2-pyrrolidinyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19683018
• LogD (pH = 7.4): 1.0727233
• Log P: 3.0957541
• Molar Refractivity: 98.1559 cm^3
• Polarizability: 37.815254 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.53
• LOG S: -3.8
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5