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Chemical ID: 7254048
Chemical ID:
7254048
Name [?]:
N-(4-phenylphenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)NC(=O)c3ccccn3
InChi [?]:
InChI=1/C18H14N2O/c21-18(17-8-4-5-13-19-17)20-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-13H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,8,12,9,11,20,4,7,10,16,14,21,13,15/E:(2,3)(6,7)(9,10)(11,12)/rA:21nCCCCCCCCCCCCNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96424 |
Area: | 480.724 |
Solvation: | -2.05387 |
Coulombic: | -30.545 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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