Chemical ID: 5863842

CC1CCCC(C1)NCCNC(=O)c2cccnc2
Chemical ID:
5863842
Name [?]:
N-[2-(3-methylcyclohexyl)aminoethyl]pyridine-3-carboxamide
SMILES [?]:
CC1CCCC(C1)NCCNC(=O)c2cccnc2
InChi [?]:
InChI=1/C15H23N3O/c1-12-4-2-6-14(10-12)17-8-9-18-15(19)13-5-3-7-16-11-13/h3,5,7,11-12,14,17H,2,4,6,8-10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,16,3,15,5,17,9,10,7,19,2,14,6,12,18,8,11,13/rA:19cCCCCCCCNCCNCOCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.77067
Area:487.119
Solvation:-2.40729
Coulombic:-35.8863
Bond Count [?]
All:20
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.363
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.13
LogP (Chemaxon):1.17

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