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Chemical ID: 6038504
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
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Experimental Annotations
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Descriptor Annotations
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