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Chemical ID: 6336043
Chemical ID:
6336043
Name [?]:
2-methyl-N-(3-pyridylmethyl)propanamide
SMILES [?]:
CC(C)C(=O)NCc1cccnc1
InChi [?]:
InChI=1/C10H14N2O/c1-8(2)10(13)12-7-9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,13,7,2,8,4,12,6,5/E:(1,2)/rA:13nCCCCONCCCCCNC/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9401 |
Area: | 368.238 |
Solvation: | -2.26585 |
Coulombic: | -25.3937 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.71 |
LogP (Chemaxon): | 0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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