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Chemical ID: 3887999
Chemical ID:
3887999
Name [?]:
N-[(4-aminophenyl)methyl]-N-(p-tolyl)pyridine-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(Cc2ccc(cc2)N)C(=O)c3cccnc3
InChi [?]:
InChI=1/C20H19N3O/c1-15-4-10-19(11-5-15)23(14-16-6-8-18(21)9-7-16)20(24)17-3-2-12-22-13-17/h2-13H,14,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,3,7,11,15,12,14,4,6,22,24,9,2,10,19,13,5,17,16,23,8,18/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCNCCCCCCCNCOCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1588 |
Area: | 506.314 |
Solvation: | -2.49907 |
Coulombic: | -40.0256 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.384 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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