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Chemical ID: 7294938
Chemical ID:
7294938
Name [?]:
N-(p-tolyl)pyridine-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C13H12N2O/c1-10-5-7-11(8-6-10)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,15,2,5,11,9,16,8,10/E:(5,6)(7,8)/rA:16nCCCCCCCNCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20541 |
Area: | 397.775 |
Solvation: | -1.73896 |
Coulombic: | -28.8932 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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