Chemical ID: 4601465

CC(=C(C#N)C(=O)NCc1ccccn1)N
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

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