Chemical ID: 5609566

c1cc(nc(c1)C(=O)Nc2ccc(cc2)I)C(=O)Nc3ccc(cc3)I
Chemical ID:
5609566
Name [?]:
N,N'-bis(4-iodophenyl)pyridine-2,6-dicarboxamide
SMILES [?]:
c1cc(nc(c1)C(=O)Nc2ccc(cc2)I)C(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C19H13I2N3O2/c20-12-4-8-14(9-5-12)22-18(25)16-2-1-3-17(24-16)19(26)23-15-10-6-13(21)7-11-15/h1-11H,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,12,14,21,25,11,15,23,13,20,10,3,5,17,7,26,16,19,9,4,18,8/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(25,26)/gE:(1,2)/rA:26nCCCNCCCONCCCCCCICONCCCCCCI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13I2N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.3794
Area:628.533
Solvation:-2.33391
Coulombic:-52.0626
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:569.134
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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