Chemical ID: 6039251

CCCCCN(CCC(=O)NC(C)CC)C(=O)c1cnccn1
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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