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Chemical ID: 4881659
Chemical ID:
4881659
Name [?]:
N-propyl-N'-(2-pyridylmethyl)oxamide
SMILES [?]:
CCCNC(=O)C(=O)NCc1ccccn1
InChi [?]:
InChI=1/C11H15N3O2/c1-2-6-13-10(15)11(16)14-8-9-5-3-4-7-12-9/h3-5,7H,2,6,8H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,3,15,10,11,5,7,16,4,9,6,8/rA:16nCCCNCOCONCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64303 |
Area: | 436.964 |
Solvation: | -2.28108 |
Coulombic: | -51.942 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.22 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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