Chemical ID: 5609382

CCOC(=O)c1cccc(n1)C(=O)Nc2ccc(cc2)NC(=O)C
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

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