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Chemical ID: 6394280
Chemical ID:
6394280
Name [?]:
3-methyl-N-(6-methyl-2-pyridyl)-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cccc(n2)C
InChi [?]:
InChI=1/C14H14N2O/c1-10-5-3-7-12(9-10)14(17)16-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,4,13,3,14,5,12,7,2,15,6,11,8,16,10,9/rA:17nCCCCCCCCONCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52853 |
Area: | 417.063 |
Solvation: | -2.89804 |
Coulombic: | -26.0064 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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