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Chemical ID: 6039308
Chemical ID:
6039308
Name [?]:
5-methyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCNC(=O)c1cnc(cn1)C
InChi [?]:
InChI=1/C13H20N4O2/c1-4-9(2)17-12(18)5-6-14-13(19)11-8-15-10(3)7-16-11/h7-9H,4-6H2,1-3H3,(H,14,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,19,2,8,9,17,14,3,16,13,6,11,10,15,18,5,7,12/rA:19cCCCCNCOCCNCOCCNCCNC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N4O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.25965 |
Area: | 496.824 |
Solvation: | -3.16094 |
Coulombic: | -51.8753 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 264.324 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.38 |
LogP (Chemaxon): | -0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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