Chemical ID: 4695062

Cc1c(cc(c(n1)N2CC(OC(C2)C)C)C#N)C(=O)C
Chemical ID:
4695062
Name [?]:
5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1c(cc(c(n1)N2CC(OC(C2)C)C)C#N)C(=O)C
InChi [?]:
InChI=1/C15H19N3O2/c1-9-7-18(8-10(2)20-9)15-13(6-16)5-14(12(4)19)11(3)17-15/h5,9-10H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:14,15,1,20,4,16,13,9,12,10,2,18,5,3,6,17,7,8,19,11/E:(1,2)(7,8)(9,10)/rA:20cCCCCCCNNCCOCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s12;s10;s5;t16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:6.84351
Area:458.248
Solvation:-4.61269
Coulombic:-28.6016
Bond Count [?]
All:21
Single:16
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.33
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):1.48

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Descriptor Annotations

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