Chemical ID: 6712110

Cc1cc([nH+]c(c1C#N)N(c2ccccc2)C(=O)C)C
Chemical ID:
6712110
Name [?]:
N-(3-cyano-4,6-dimethyl-1H-pyridin-2-yl)-N-phenyl-acetamide
SMILES [?]:
Cc1cc([nH+]c(c1C#N)N(c2ccccc2)C(=O)C)C
InChi [?]:
InChI=1/C16H15N3O/c1-11-9-12(2)18-16(15(11)10-17)19(13(3)20)14-7-5-4-6-8-14/h4-9H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,19,14,13,15,12,16,3,8,2,4,17,11,7,6,9,5,10,18/E:(5,6)(7,8)/rA:20nCCCCN+CCCNNCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N3O+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-22.8767
Area:452.772
Solvation:-34.196
Coulombic:-8.19587
Bond Count [?]
All:21
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.318
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.93
LogP (Chemaxon):2.66

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Descriptor Annotations

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