Chemical ID: 7390680

c1ccc(cc1)C(=O)N2CCN(CC2)CCNC(=O)c3ccncc3
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

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