3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

C14H16N2O3S — CID 166263879

IUPAC3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1nc(CNCc2ccsc2C(=O)O)ccc1C
InChIInChI=1S/C14H16N2O3S/c1-9-3-4-11(16-13(9)19-2)8-15-7-10-5-6-20-12(10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyNKUMIPSGYOUYRF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.45
Rot. Bonds6

About 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 166263879) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID166263879
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1nc(CNCc2ccsc2C(=O)O)ccc1C
InChIInChI=1S/C14H16N2O3S/c1-9-3-4-11(16-13(9)19-2)8-15-7-10-5-6-20-12(10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyNKUMIPSGYOUYRF-UHFFFAOYSA-N
XLogP2.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103267005
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052
3-[(4-propan-2-yloxybutylamino)methyl]thiophene-2-carboxylic acid
CID 106004138
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249183
3-[(3-butoxypropylamino)methyl]thiophene-2-carboxylic acid
CID 103264727
3-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 106105555
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (CID 166263879) is 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is COc1nc(CNCc2ccsc2C(=O)O)ccc1C.
What is the InChIKey of 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is NKUMIPSGYOUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-3-4-11(16-13(9)19-2)8-15-7-10-5-6-20-12(10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 166263879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).