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Chemical ID: 3929883
Chemical ID:
3929883
Name [?]:
2,2-dimethyl-N-(6-propanoylamino-3-pyridyl)-propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C13H19N3O2/c1-5-11(17)16-10-7-6-9(8-14-10)15-12(18)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,2,8,7,10,9,6,3,13,15,11,12,5,4,14/E:(2,3,4)/rA:18nCCCONCCCCCNNCOCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41304 |
Area: | 452.833 |
Solvation: | -3.90779 |
Coulombic: | -43.2598 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.309 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.58 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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