Chemical ID: 6038347

CCCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnc(cn2)C
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

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