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Chemical ID: 6450194
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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