ChemDB: Chemical Search
Download
Chemical ID: 4516398
Chemical ID:
4516398
Name [?]:
2-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)c3c(cccn3)C(=O)N
InChi [?]:
InChI=1/C16H18N4O/c17-15(21)14-7-4-8-18-16(14)20-11-9-19(10-12-20)13-5-2-1-3-6-13/h1-8H,9-12H2,(H2,17,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,15,17,8,12,9,11,4,14,19,13,21,18,7,10,20/E:(2,3)(5,6)(9,10)(11,12)/rA:21nCCCCCCNCCNCCCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N4O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03096 |
Area: | 464.86 |
Solvation: | -3.59055 |
Coulombic: | -44.0025 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.34 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.3 |
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 |
---|