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Chemical ID: 4628332
Chemical ID:
4628332
Name [?]:
4,6-dimethyl-2-(o-tolylamino)pyridine-3-carbonitrile
SMILES [?]:
Cc1ccccc1Nc2c(c(cc(n2)C)C)C#N
InChi [?]:
InChI=1/C15H15N3/c1-10-6-4-5-7-14(10)18-15-13(9-16)11(2)8-12(3)17-15/h4-8H,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,4,5,3,6,12,17,2,11,13,10,7,9,18,14,8/rA:18nCCCCCCCNCCCCCNCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s11;s10;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15197 |
Area: | 431.413 |
Solvation: | -1.63335 |
Coulombic: | -20.8561 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 237.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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