ChemDB: Chemical Search
Download
Chemical ID: 3963525
Chemical ID:
3963525
Name [?]:
N-(5-butanoylamino-2-pyridyl)benzamide
SMILES [?]:
CCCC(=O)Nc1ccc(nc1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H17N3O2/c1-2-6-15(20)18-13-9-10-14(17-11-13)19-16(21)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,18,20)(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,3,17,21,8,9,12,16,7,10,4,14,11,6,13,5,15/E:(4,5)(7,8)/rA:21nCCCCONCCCCNCNCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60931 |
Area: | 501.936 |
Solvation: | -3.93909 |
Coulombic: | -45.7402 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.84 |
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 |
---|