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Chemical ID: 5785297
Chemical ID:
5785297
Name [?]:
N'-(2-hydroxyethyl)-N-(4-pyridylmethyl)oxamide
SMILES [?]:
c1cnccc1CNC(=O)C(=O)NCCO
InChi [?]:
InChI=1/C10H13N3O3/c14-6-5-12-9(15)10(16)13-7-8-1-3-11-4-2-8/h1-4,14H,5-7H2,(H,12,15)(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,15,7,6,11,9,3,13,8,16,12,10/E:(1,2)(3,4)/rA:16nCCNCCCCNCOCONCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86913 |
Area: | 428.698 |
Solvation: | -3.84833 |
Coulombic: | -66.9074 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 223.229 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -1.36 |
LogP (Chemaxon): | -1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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