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Chemical ID: 5863842
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
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Experimental Annotations
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Descriptor Annotations
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