General Information of the Compound
Compound ID
CP0438146
Compound Name
4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine
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Synonyms
2-Pyridinamine,5,6-dihydro-4-methyl-(9CI)
4-Methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
479668-33-2
5,6-dihydro-4-methyl-2-Pyridinamine
ACM479668332
AKOS006359115
BDBM50116666
CHEMBL75304
DB-070901
FCH1123804
FT-0749169
ZINC2002913
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Structure
Formula
C6H10N2
Molecular Weight
110.16
Canonical SMILES
CC1=CC(N)=NCC1
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InChI
InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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InChIKey
SRTDZDDEFUNXJL-UHFFFAOYSA-N
Physicochemical Property
logP
0.6936
Rotatable Bonds
0
Heavy Atom Count
8
Polar Areas
38.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
8

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9793827
SID: 15264746
ChEMBL ID
CHEMBL75304
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01856, Nitric oxide synthase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
Protein ID: PT01472, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine )
Drug Name 4-Methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
Target(s)
Nitric-oxide synthase endothelial (NOS3)
Inhibitor