Chemical ID: 4757397

Cc1cc(nc(c1C#N)N2CCN(CC2)c3ccccc3)C
Chemical ID:
4757397
Name [?]:
4,6-dimethyl-2-(4-phenylpiperazin-1-yl)-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)N2CCN(CC2)c3ccccc3)C
InChi [?]:
InChI=1/C18H20N4/c1-14-12-15(2)20-18(17(14)13-19)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,19,18,20,17,21,12,14,11,15,3,8,2,4,16,7,6,9,5,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCNCCCNNCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.91387
Area:491.586
Solvation:-2.37579
Coulombic:-22.9032
Bond Count [?]
All:24
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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