Chemical ID: 5606834

CN1CCN(CC1)c2c(cccn2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
5606834
Name [?]:
2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]-pyridine-3-carboxamide
SMILES [?]:
CN1CCN(CC1)c2c(cccn2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H19F3N4O/c1-24-8-10-25(11-9-24)16-15(6-3-7-22-16)17(26)23-14-5-2-4-13(12-14)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,19,11,20,18,10,12,3,7,4,6,22,21,17,9,8,14,23,24,25,26,13,16,2,5,15/E:(8,9)(10,11)(19,20,21)/rA:26nCNCCNCCCCCCCNCONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s9;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19F3N4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.31802
Area:534.006
Solvation:-4.03214
Coulombic:-55.8462
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.25
LogP (Chemaxon):3.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue