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Chemical ID: 5892027
Chemical ID:
5892027
Name [?]:
5-(3,3-dimethylbutanoylamino)-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
InChi [?]:
InChI=1/C24H32N4O2/c1-24(2,3)15-22(29)27-19-9-10-21(28-12-5-4-6-13-28)20(14-19)23(30)26-17-18-8-7-11-25-16-18/h7-11,14,16H,4-6,12-13,15,17H2,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,27,29,21,20,10,11,22,26,30,14,5,24,18,19,9,13,12,6,15,2,23,17,8,25,7,16/E:(1,2,3)(5,6)(12,13)/rA:30nCCCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s12;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N4O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0318 |
Area: | 658.839 |
Solvation: | -4.43914 |
Coulombic: | -51.8717 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.537 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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