Chemical ID: 6038504

CCCN(CCC(=O)NCCN1CCCCC1)C(=O)c2cnc(cn2)C
Chemical ID:
6038504
Name [?]:
5-methyl-N-[2-[2-(1-piperidyl)ethylcarbamoyl]ethyl]-N-propyl-pyrazine-2-carboxamide
SMILES [?]:
CCCN(CCC(=O)NCCN1CCCCC1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C19H31N5O2/c1-3-9-24(19(26)17-15-21-16(2)14-22-17)12-7-18(25)20-8-13-23-10-5-4-6-11-23/h14-15H,3-13H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,15,14,16,6,10,3,13,17,5,11,24,21,23,20,7,18,9,22,25,12,4,8,19/E:(5,6)(10,11)/rA:26nCCCNCCCONCCNCCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;s4;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31N5O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9602
Area:613.93
Solvation:-3.38801
Coulombic:-53.1371
Bond Count [?]
All:27
Single:22
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:361.482
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.78
LogP (Chemaxon):-0.25

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