Chemical ID: 6038409

Cc1cnc(cn1)C(=O)N(CCC(=O)NC(C)c2ccccc2)C3CC3
Chemical ID:
6038409
Name [?]:
N-cyclopropyl-5-methyl-N-[2-(1-phenylethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)NC(C)c2ccccc2)C3CC3
InChi [?]:
InChI=1/C20H24N4O2/c1-14-12-22-18(13-21-14)20(26)24(17-8-9-17)11-10-19(25)23-15(2)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,21,20,22,19,23,25,26,12,11,3,6,2,16,18,24,5,13,8,7,4,15,10,14,9/E:(4,5)(6,7)(8,9)/rA:26cCCCNCCNCONCCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;s10;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.5183
Area:580.462
Solvation:-2.99323
Coulombic:-49.6421
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:352.43
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):0.83

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