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Chemical ID: 6497905
Chemical ID:
6497905
Name [?]:
6-methyl-N-[2-(1-piperidyl)ethyl]pyridine-3-carboxamide
SMILES [?]:
Cc1ccc(cn1)C(=O)NCCN2CCCCC2
InChi [?]:
InChI=1/C14H21N3O/c1-12-5-6-13(11-16-12)14(18)15-7-10-17-8-3-2-4-9-17/h5-6,11H,2-4,7-10H2,1H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,11,14,18,12,6,2,5,8,10,7,13,9/E:(3,4)(8,9)/rA:18nCCCCCCNCONCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04375 |
Area: | 460.587 |
Solvation: | -2.47093 |
Coulombic: | -30.9691 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.21 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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