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Chemical ID: 6378236
Chemical ID:
6378236
Name [?]:
N-(2-methyl-1-phenyl-propylidene)aminopyridine-3-carboxamide
SMILES [?]:
CC(C)C(=NNC(=O)c1cccnc1)c2ccccc2
InChi [?]:
InChI=1/C16H17N3O/c1-12(2)15(13-7-4-3-5-8-13)18-19-16(20)14-9-6-10-17-11-14/h3-12H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,11,16,20,10,12,14,2,15,9,4,7,13,5,6,8/E:(1,2)(4,5)(7,8)/rA:20nCCCCNNCOCCCCNCCCCCCC/rB:s1;s2;s2;w4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s4;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55586 |
Area: | 478.442 |
Solvation: | -3.4052 |
Coulombic: | -25.3236 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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