ChemDB: Chemical Search
Download
Chemical ID: 5892895
Chemical ID:
5892895
Name [?]:
5-hexanoylamino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCC3
InChi [?]:
InChI=1/C23H30N4O2/c1-2-3-4-9-22(28)26-19-10-11-21(27-13-5-6-14-27)20(15-19)23(29)25-17-18-8-7-12-24-16-18/h7-8,10-12,15-16H,2-6,9,13-14,17H2,1H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,27,28,21,20,5,10,11,22,26,29,14,24,18,19,9,13,12,6,15,23,17,8,25,7,16/E:(5,6)(13,14)/rA:29nCCCCCCONCCCCCCCONCCCCCNCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s12;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1239 |
Area: | 667.347 |
Solvation: | -4.55981 |
Coulombic: | -51.7248 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 394.51 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.14 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|