Chemical ID: 6716490

Cc1ccccc1Nc2c(c(cc([nH+]2)C)C)C#N
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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Descriptor Annotations

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