Chemical ID: 5864211

CC(C)CC(=O)NCCNC(=O)c1cccnc1
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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Descriptor Annotations

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