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Chemical ID: 7354779
Chemical ID:
7354779
Name [?]:
N-[2-(1H-imidazol-2-yl)-1-phenyl-ethylidene]aminopyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)C(=NNC(=O)c2cccnc2)Cc3[nH]ccn3
InChi [?]:
InChI=1/C17H15N5O/c23-17(14-7-4-8-18-12-14)22-21-15(11-16-19-9-10-20-16)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,15,21,22,18,17,4,12,7,19,10,16,20,23,8,9,11/E:(2,3)(5,6)(9,10)(19,20)/rA:23nCCCCCCCNNCOCCCCNCCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s7;s18;s19;s20;d21;d19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N5O |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1594 |
Area: | 514.832 |
Solvation: | -4.71139 |
Coulombic: | -38.6105 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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