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Chemical ID: 5545034
Chemical ID:
5545034
Name [?]:
N-ethyl-N'-(3-pyridylmethyl)oxamide
SMILES [?]:
CCNC(=O)C(=O)NCc1cccnc1
InChi [?]:
InChI=1/C10H13N3O2/c1-2-12-9(14)10(15)13-7-8-4-3-5-11-6-8/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,15,9,10,4,6,14,3,8,5,7/rA:15nCCNCOCONCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87297 |
Area: | 409.71 |
Solvation: | -2.36978 |
Coulombic: | -51.1869 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.229 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.23 |
LogP (Chemaxon): | -0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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