4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide

• ChemBase ID: 236386
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: C(=O)(c1cc(Oc2ccc(N)cc2)ccn1)N(C)C
• Canonical SMILES: Nc1ccc(cc1)Oc1ccnc(c1)C(=O)N(C)C
• InChI: InChI=1S/C14H15N3O2/c1-17(2)14(18)13-9-12(7-8-16-13)19-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3
• InChIKey: KFFKMBWNWNRVEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide
• IUPAC Traditional name: 4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide
• Synonyms: 4-(4-aminophenoxy)-N,N-dimethylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD12678173
• PubChem SID: 164292296
• PubChem CID: 23614563

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.094704
• LogD (pH = 7.4): 1.1105713
• Log P: 1.1107774
• Molar Refractivity: 73.3421 cm^3
• Polarizability: 27.418535 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 0.377

Product Information

• Purity: 95%