Chemical ID: 4627854

Cc1ccc(c(c1)C)Nc2c(c(cc(n2)C)C)C#N
Chemical ID:
4627854
Name [?]:
2-(2,4-dimethylphenyl)amino-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccc(c(c1)C)Nc2c(c(cc(n2)C)C)C#N
InChi [?]:
InChI=1/C16H17N3/c1-10-5-6-15(12(3)7-10)19-16-14(9-17)11(2)8-13(4)18-16/h5-8H,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,8,16,3,4,7,13,18,2,12,6,14,11,5,10,19,15,9/rA:19nCCCCCCCCNCCCCCNCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s14;s12;s11;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.71237
Area:454.764
Solvation:-1.65673
Coulombic:-20.6088
Bond Count [?]
All:20
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.326
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.28
LogP (Chemaxon):4.07

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