methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate

C13H15N3O2S — CID 114090203

IUPACmethyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCc2ccsc2)ncc1N
InChIInChI=1S/C13H15N3O2S/c1-18-13(17)10-6-12(16-7-11(10)14)15-4-2-9-3-5-19-8-9/h3,5-8H,2,4,14H2,1H3,(H,15,16)
InChIKeyXIJDKUHRYRHPFT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.17
Rot. Bonds5

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

methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate (PubChem CID 114090203) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
PubChem CID114090203
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCCc2ccsc2)ncc1N
InChIInChI=1S/C13H15N3O2S/c1-18-13(17)10-6-12(16-7-11(10)14)15-4-2-9-3-5-19-8-9/h3,5-8H,2,4,14H2,1H3,(H,15,16)
InChIKeyXIJDKUHRYRHPFT-UHFFFAOYSA-N
XLogP2.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214203
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
6-propoxy-2-N-(2-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 61474843
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
6-(ethylamino)-N-(2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62176103
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 106972720

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate (CID 114090203) is methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate is COC(=O)c1cc(NCCc2ccsc2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate?
The InChIKey is XIJDKUHRYRHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-13(17)10-6-12(16-7-11(10)14)15-4-2-9-3-5-19-8-9/h3,5-8H,2,4,14H2,1H3,(H,15,16).
What are the key properties of methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114090203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).