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Chemical ID: 6497906
Chemical ID:
6497906
Name [?]:
N-[2-(1-piperidyl)ethyl]pyridine-4-carboxamide
SMILES [?]:
c1cnccc1C(=O)NCCN2CCCCC2
InChi [?]:
InChI=1/C13H19N3O/c17-13(12-4-6-14-7-5-12)15-8-11-16-9-2-1-3-10-16/h4-7H,1-3,8-11H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,5,2,4,10,13,17,11,6,7,3,9,12,8/E:(2,3)(4,5)(6,7)(9,10)/rA:17nCCNCCCCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36115 |
Area: | 440.008 |
Solvation: | -2.63906 |
Coulombic: | -30.8345 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.89 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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