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Chemical ID: 4757397
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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