Chemical ID: 3929883

CCC(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
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

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Descriptor Annotations

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