ChemDB: Chemical Search
Download
Chemical ID: 6372823
Chemical ID:
6372823
Name [?]:
N-[4-(3-pyridylcarbonylamino)phenyl]pyridine-3-carboxamide
SMILES [?]:
c1cc(cnc1)C(=O)Nc2ccc(cc2)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C18H14N4O2/c23-17(13-3-1-9-19-11-13)21-15-5-7-16(8-6-15)22-18(24)14-4-2-10-20-12-14/h1-12H,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,11,15,12,14,6,22,4,24,3,19,10,13,7,17,5,23,9,16,8,18/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCCCNCCONCCCCCCNCOCCCCNC/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N4O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22966 |
Area: | 532.326 |
Solvation: | -4.07851 |
Coulombic: | -50.7009 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.53 |
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 |
---|