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Chemical ID: 6039025
Chemical ID:
6039025
Name [?]:
N-cyclopropyl-N-[2-(hexylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCCCNC(=O)CCN(C1CC1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C17H26N4O2/c1-2-3-4-5-9-20-16(22)8-12-21(14-6-7-14)17(23)15-13-18-10-11-19-15/h10-11,13-14H,2-9,12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,14,15,10,6,21,22,11,19,13,18,8,16,20,23,7,12,9,17/E:(6,7)/rA:23nCCCCCCNCOCCNCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s13s14;s12;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N4O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1748 |
Area: | 562.21 |
Solvation: | -2.8805 |
Coulombic: | -48.9863 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 318.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.0 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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