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Chemical ID: 5615182
Chemical ID:
5615182
Name [?]:
methyl 6-[(4-acetamidophenyl)carbamoyl]pyridine-2-carboxylate
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2cccc(n2)C(=O)OC
InChi [?]:
InChI=1/C16H15N3O4/c1-10(20)17-11-6-8-12(9-7-11)18-15(21)13-4-3-5-14(19-13)16(22)23-2/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,16,15,17,6,10,7,9,2,5,8,14,18,12,20,4,11,19,3,13,21,22/E:(6,7)(8,9)/rA:23nCCONCCCCCCNCOCCCCCNCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31733 |
Area: | 532.597 |
Solvation: | -3.9976 |
Coulombic: | -67.0946 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.308 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.69 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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