methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate

C12H19N3O3S — CID 114195371

IUPACmethyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NCCC(C)S(C)=O
InChIInChI=1S/C12H19N3O3S/c1-8(19(3)17)4-5-14-10-7-15-11(13)6-9(10)12(16)18-2/h6-8,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyLHJMOVRZTVFHTG-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.02
Rot. Bonds6

About methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate

methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate (PubChem CID 114195371) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
PubChem CID114195371
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NCCC(C)S(C)=O
InChIInChI=1S/C12H19N3O3S/c1-8(19(3)17)4-5-14-10-7-15-11(13)6-9(10)12(16)18-2/h6-8,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyLHJMOVRZTVFHTG-UHFFFAOYSA-N
XLogP1.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
CID 114194762
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587
ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate
CID 114195202
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 2-methyl-5-[(3-methylsulfinylbutylamino)methyl]furan-3-carboxylate
CID 115924392
methyl 4-amino-2-(2-methylsulfinylpropylsulfamoyl)benzoate
CID 102931650
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
CID 114194866
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
CID 114194852
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
CID 114194731
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate (CID 114195371) is methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1NCCC(C)S(C)=O.
What is the InChIKey of methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate?
The InChIKey is LHJMOVRZTVFHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(19(3)17)4-5-14-10-7-15-11(13)6-9(10)12(16)18-2/h6-8,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate?
methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114195371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).