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Chemical ID: 3930015
Chemical ID:
3930015
Name [?]:
2-methyl-N-(5-propanoylamino-2-pyridyl)-propanamide
SMILES [?]:
CCC(=O)Nc1ccc(nc1)NC(=O)C(C)C
InChi [?]:
InChI=1/C12H17N3O2/c1-4-11(16)14-9-5-6-10(13-7-9)15-12(17)8(2)3/h5-8H,4H2,1-3H3,(H,14,16)(H,13,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,7,8,11,15,6,9,3,13,10,5,12,4,14/E:(2,3)/rA:17nCCCONCCCCNCNCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N3O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91397 |
Area: | 435.359 |
Solvation: | -3.97002 |
Coulombic: | -42.6492 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.282 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.38 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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