Chemical ID: 7405862

CC(=O)N1CCN(CC1)CCNC(=O)c2ccncc2
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

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