Chemical ID: 5814058

c1ccc(cc1)CNc2c(cccn2)C(=O)Nc3ccccc3
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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