Chemical ID: 4696221

CN1CCN(CC1)c2ccc(cn2)NC(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
4696221
Name [?]:
N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cn2)NC(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C18H19F3N4O/c1-24-8-10-25(11-9-24)16-7-6-15(12-22-16)23-17(26)13-2-4-14(5-3-13)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,18,22,19,21,10,9,3,7,4,6,12,17,20,11,8,15,23,24,25,26,13,14,2,5,16/E:(2,3)(4,5)(8,9)(10,11)(19,20,21)/rA:26nCNCCNCCCCCCCNNCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19F3N4O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.70073
Area:544.929
Solvation:-3.92251
Coulombic:-56.491
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