ChemDB: Chemical Search
Download
Chemical ID: 5609382
Chemical ID:
5609382
Name [?]:
ethyl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate
SMILES [?]:
CCOC(=O)c1cccc(n1)C(=O)Nc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C17H17N3O4/c1-3-24-17(23)15-6-4-5-14(20-15)16(22)19-13-9-7-12(8-10-13)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,8,9,7,17,19,16,20,22,18,15,10,6,12,4,21,14,11,23,13,5,3/E:(7,8)(9,10)/rA:24nCCOCOCCCCCNCONCCCCCCNCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0731 |
Area: | 558.676 |
Solvation: | -3.89383 |
Coulombic: | -67.4072 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.335 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.8 |
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 |
---|