Chemical ID: 6450194

CC(C)NC(=O)c1ccc(nc1)N2CCN(CC2)C(C)C
Chemical ID:
6450194
Name [?]:
N-isopropyl-6-(4-isopropylpiperazin-1-yl)-pyridine-3-carboxamide
SMILES [?]:
CC(C)NC(=O)c1ccc(nc1)N2CCN(CC2)C(C)C
InChi [?]:
InChI=1/C16H26N4O/c1-12(2)18-16(21)14-5-6-15(17-11-14)20-9-7-19(8-10-20)13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,8,9,15,17,14,18,12,2,19,7,10,5,11,4,16,13,6/E:(1,2)(3,4)(7,8)(9,10)/rA:21nCCCNCOCCCCNCNCCNCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0563
Area:508.452
Solvation:-2.65495
Coulombic:-37.9767
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.404
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.52
LogP (Chemaxon):1.91

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Descriptor Annotations

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