Chemical ID: 5045357

Cc1cc(nc(c1C#N)NCc2ccccc2)C
Chemical ID:
5045357
Name [?]:
2-benzylamino-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)NCc2ccccc2)C
InChi [?]:
InChI=1/C15H15N3/c1-11-8-12(2)18-15(14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,15,14,16,13,17,3,8,11,2,4,12,7,6,9,10,5/E:(4,5)(6,7)/rA:18nCCCCNCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.54387
Area:449.802
Solvation:-1.70119
Coulombic:-22.1971
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.3
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.76
LogP (Chemaxon):3.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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