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Chemical ID: 6716490
Chemical ID:
6716490
Name [?]:
4,6-dimethyl-2-(o-tolylamino)-1H-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccccc1Nc2c(c(cc([nH+]2)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)/p+1
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:18nCCCCCCCNCCCCCN+CCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s11;s10;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N3+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.0742 |
Area: | 434.067 |
Solvation: | -29.9259 |
Coulombic: | -8.87685 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.308 |
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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