5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide | SBID = 1921 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C28H31IN6O4
M / g/mol: 642.48801
Complexity:
Number of Conformers:

Identifiers

  • Tags: hamilton receptor, aromatic
  • Name: 5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • Preferred Abbreviation: 5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -828
  • InChiKey: HMBLQFGHWOREHA-UHFFFAOYSA-N
  • InChi: InChI=1S/C28H31IN6O4/c1-3-5-13-25(36)32-21-9-7-11-23(30-21)34-27(38)18-15-19(17-20(29)16-18)28(39)35-24-12-8-10-22(31-24)33-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,30,32,34,36,38)(H2,31,33,35,37,39)
  • CanoSmiles: CCCCC(=O)Nc1cccc(n1)NC(=O)c1cc(I)cc(c1)C(=O)Nc1cccc(n1)NC(=O)CCCC
  • IsoSmiles: CCCCC(=O)Nc3cccc(NC(=O)c2cc(I)cc(C(=O)Nc1cccc(NC(=O)CCCC)n1)c2)n3