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Chemical ID: 3929908
Chemical ID:
3929908
Name [?]:
N-(6-butanoylamino-3-pyridyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C14H21N3O2/c1-5-6-12(18)17-11-8-7-10(9-15-11)16-13(19)14(2,3)4/h7-9H,5-6H2,1-4H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,2,3,9,8,11,10,7,4,14,16,12,13,6,5,15/E:(2,3,4)/rA:19nCCCCONCCCCCNNCOCCCC/rB:s1;s2;s3;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: | 8.09362 |
Area: | 479.433 |
Solvation: | -3.8922 |
Coulombic: | -43.6521 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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