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Chemical ID: 4695062
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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