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Chemical ID: 6038314
Chemical ID:
6038314
Name [?]:
N-butyl-5-methyl-N-[2-(2-pyrrolidin-1-ylethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCCN1CCCC1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C19H31N5O2/c1-3-4-11-24(19(26)17-15-21-16(2)14-22-17)12-7-18(25)20-8-13-23-9-5-6-10-23/h14-15H,3-13H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,15,16,7,11,14,17,4,6,12,24,21,23,20,8,18,10,22,25,13,5,9,19/E:(5,6)(9,10)/rA:26nCCCCNCCCONCCNCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s5;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: | 12.0964 |
Area: | 621.156 |
Solvation: | -3.43245 |
Coulombic: | -53.158 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 361.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.99 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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