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Chemical ID: 7390680
Chemical ID:
7390680
Name [?]:
N-[2-(4-benzoylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)N2CCN(CC2)CCNC(=O)c3ccncc3
InChi [?]:
InChI=1/C19H22N4O2/c24-18(16-6-8-20-9-7-16)21-10-11-22-12-14-23(15-13-22)19(25)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,22,24,16,15,11,13,10,14,20,4,18,7,23,17,12,9,19,8/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:25nCCCCCCCONCCNCCCCNCOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4O2 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3383 |
Area: | 570.361 |
Solvation: | -3.92071 |
Coulombic: | -48.8674 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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