Chemical ID: 6541982

CC12CC3CC(C1)(CC(C3)(C2)CCNC(=O)c4cccnc4Cl)C
Chemical ID:
6541982
Name [?]:
2-chloro-N-[2-(3,5-dimethyl-1-adamantyl)ethyl]pyridine-3-carboxamide
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)CCNC(=O)c4cccnc4Cl)C
InChi [?]:
InChI=1/C20H27ClN2O/c1-18-8-14-9-19(2,11-18)13-20(10-14,12-18)5-7-23-17(24)15-4-3-6-22-16(15)21/h3-4,6,14H,5,7-13H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,19,18,12,20,13,3,5,10,7,11,8,4,17,22,15,2,6,9,23,21,14,16/E:(1,2)(8,9)(12,13)(18,19)/rA:24cCCCCCCCCCCCCCNCOCCCCNCClC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27ClN2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:11.219
Area:532.951
Solvation:-2.10477
Coulombic:-29.0316
Bond Count [?]
All:27
Single:23
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.894
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.51
LogP (Chemaxon):4.03

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