ChemDB: Chemical Search
Download
Chemical ID: 3896302
Chemical ID:
3896302
Name [?]:
N-phenethyl-2-phenethylamino-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CCNc2c(cccn2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C22H23N3O/c26-22(25-17-14-19-10-5-2-6-11-19)20-12-7-15-23-21(20)24-16-13-18-8-3-1-4-9-18/h1-12,15H,13-14,16-17H2,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,13,3,5,22,26,12,7,20,14,8,19,4,21,11,10,16,15,9,18,17/E:(3,4)(5,6)(8,9)(10,11)/rA:26nCCCCCCCCNCCCCCNCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s11;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2869 |
Area: | 607.106 |
Solvation: | -2.89075 |
Coulombic: | -42.2009 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.438 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.61 |
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 |
---|