Chemical ID: 6497905

Cc1ccc(cn1)C(=O)NCCN2CCCCC2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue