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Chemical ID: 4202801
Chemical ID:
4202801
Name [?]:
N-(4-acetamidophenyl)pyridine-3-carboxamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2cccnc2
InChi [?]:
InChI=1/C14H13N3O2/c1-10(18)16-12-4-6-13(7-5-12)17-14(19)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,6,10,7,9,17,19,2,14,5,8,12,18,4,11,3,13/E:(4,5)(6,7)/rA:19nCCONCCCCCCNCOCCCCNC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60322 |
Area: | 450.417 |
Solvation: | -3.65722 |
Coulombic: | -44.0955 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.57 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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