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Chemical ID: 7405862
Chemical ID:
7405862
Name [?]:
N-[2-(4-acetylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
SMILES [?]:
CC(=O)N1CCN(CC1)CCNC(=O)c2ccncc2
InChi [?]:
InChI=1/C14H20N4O2/c1-12(19)18-10-8-17(9-11-18)7-6-16-14(20)13-2-4-15-5-3-13/h2-5H,6-11H2,1H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,16,20,17,19,11,10,6,8,5,9,2,15,13,18,12,7,4,3,14/E:(2,3)(4,5)(8,9)(10,11)/rA:20nCCONCCNCCCCNCOCCCNCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N4O2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18037 |
Area: | 494.652 |
Solvation: | -4.18594 |
Coulombic: | -44.6152 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.54 |
LogP (Chemaxon): | -1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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