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Chemical ID: 5814058
Chemical ID:
5814058
Name [?]:
2-benzylamino-N-phenyl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CNc2c(cccn2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C19H17N3O/c23-19(22-16-10-5-2-6-11-16)17-12-7-13-20-18(17)21-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,12,3,5,19,23,11,13,7,4,18,10,9,15,14,8,17,16/E:(3,4)(5,6)(8,9)(10,11)/rA:23nCCCCCCCNCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s10;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2064 |
Area: | 520.418 |
Solvation: | -2.804 |
Coulombic: | -40.8175 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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