6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid

C13H14N2O2S — CID 106904477

IUPAC6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-9(12-6-3-7-18-12)14-8-10-4-2-5-11(15-10)13(16)17/h2-7,9,14H,8H2,1H3,(H,16,17)
InChIKeyFRYNFFYEJMBDDB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.69
Rot. Bonds5

About 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid

6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904477) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904477
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-9(12-6-3-7-18-12)14-8-10-4-2-5-11(15-10)13(16)17/h2-7,9,14H,8H2,1H3,(H,16,17)
InChIKeyFRYNFFYEJMBDDB-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
CID 106904746
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668

Frequently Asked Questions

What is the IUPAC name of 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid (CID 106904477) is 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid is CC(NCc1cccc(C(=O)O)n1)c1cccs1.
What is the InChIKey of 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is FRYNFFYEJMBDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(12-6-3-7-18-12)14-8-10-4-2-5-11(15-10)13(16)17/h2-7,9,14H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid?
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).