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Chemical ID: 3930010
Chemical ID:
3930010
Name [?]:
2,2-dimethyl-N-[6-(2-methylpropanoylamino)-3-pyridyl]-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C14H21N3O2/c1-9(2)12(18)17-11-7-6-10(8-15-11)16-13(19)14(3,4)5/h6-9H,1-5H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,19,9,8,11,2,10,7,4,14,16,12,13,6,5,15/E:(1,2)(3,4,5)/rA:19nCCCCONCCCCCNNCOCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00525 |
Area: | 472.705 |
Solvation: | -3.81238 |
Coulombic: | -43.9362 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.88 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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