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Chemical ID: 4601465
Chemical ID:
4601465
Name [?]:
3-amino-2-cyano-N-(2-pyridylmethyl)but-2-enamide
SMILES [?]:
CC(=C(C#N)C(=O)NCc1ccccn1)N
InChi [?]:
InChI=1/C11H12N4O/c1-8(13)10(6-12)11(16)15-7-9-4-2-3-5-14-9/h2-5H,7,13H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,4,9,2,10,3,6,5,16,15,8,7/rA:16nCCCCNCONCCCCCCNN/rB:s1;w2;s3;t4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97512 |
Area: | 415.503 |
Solvation: | -2.41245 |
Coulombic: | -46.0168 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.239 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.26 |
LogP (Chemaxon): | -1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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