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Chemical ID: 6039251
Chemical ID:
6039251
Name [?]:
N-pentyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCCN(CCC(=O)NC(C)CC)C(=O)c1cnccn1
InChi [?]:
InChI=1/C17H28N4O2/c1-4-6-7-11-21(12-8-16(22)20-14(3)5-2)17(23)15-13-18-9-10-19-15/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,13,2,14,3,4,8,21,22,5,7,19,12,18,9,16,20,23,11,6,10,17/rA:23cCCCCCNCCCONCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s12;s14;s6;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N4O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2039 |
Area: | 565.145 |
Solvation: | -2.92476 |
Coulombic: | -49.1952 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 320.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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