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Chemical ID: 5864211
Chemical ID:
5864211
Name [?]:
N-[2-(3-methylbutanoylamino)ethyl]pyridine-3-carboxamide
SMILES [?]:
CC(C)CC(=O)NCCNC(=O)c1cccnc1
InChi [?]:
InChI=1/C13H19N3O2/c1-10(2)8-12(17)15-6-7-16-13(18)11-4-3-5-14-9-11/h3-5,9-10H,6-8H2,1-2H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,8,9,4,18,2,13,5,11,17,7,10,6,12/E:(1,2)/rA:18nCCCCCONCCNCOCCCCNC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67532 |
Area: | 478.429 |
Solvation: | -3.2854 |
Coulombic: | -46.4758 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 249.309 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.01 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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