methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate

C13H14N2O2S — CID 60721902

IUPACmethyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-9(11-6-4-8-18-11)15-12-10(13(16)17-2)5-3-7-14-12/h3-9H,1-2H3,(H,14,15)
InChIKeyYVAQTKBKAUPYBV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate

methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate (PubChem CID 60721902) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
PubChem CID60721902
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-9(11-6-4-8-18-11)15-12-10(13(16)17-2)5-3-7-14-12/h3-9H,1-2H3,(H,14,15)
InChIKeyYVAQTKBKAUPYBV-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-thiophen-2-ylethylamino)pyridine-3-carbothioamide
CID 43534447
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 3-amino-2-(1-thiophen-2-ylethylamino)benzoate
CID 112578112
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate (CID 60721902) is methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NC(C)c1cccs1.
What is the InChIKey of methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate?
The InChIKey is YVAQTKBKAUPYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(11-6-4-8-18-11)15-12-10(13(16)17-2)5-3-7-14-12/h3-9H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate?
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 60721902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).