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Chemical ID: 6038347
Chemical ID:
6038347
Name [?]:
N-butyl-5-methyl-N-[2-(3-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C19H25N5O2/c1-3-4-9-24(19(26)17-14-21-15(2)11-22-17)10-7-18(25)23-13-16-6-5-8-20-12-16/h5-6,8,11-12,14H,3-4,7,9-10,13H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,14,13,7,15,4,6,24,17,11,21,23,12,20,8,18,16,22,25,10,5,9,19/rA:26nCCCCNCCCONCCCCCNCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s5;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N5O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4332 |
Area: | 608.333 |
Solvation: | -3.77514 |
Coulombic: | -52.9793 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 355.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | -0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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