2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid

C14H16N2O2S — CID 113380132

IUPAC2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-12-6-11(14(17)18)7-13(15-12)16(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyCKCYLEAWNGESNU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.04
Rot. Bonds5

About 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid

2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid (PubChem CID 113380132) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
PubChem CID113380132
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C14H16N2O2S/c1-3-12-6-11(14(17)18)7-13(15-12)16(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyCKCYLEAWNGESNU-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
3-[methyl(thiophen-3-ylmethyl)amino]-4-nitrobenzoic acid
CID 82783947
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43528349
4-[[ethyl(1-thiophen-3-ylpropan-2-yl)amino]methyl]benzoic acid
CID 122033177
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid (CID 113380132) is 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(N(C)Cc2ccsc2)n1.
What is the InChIKey of 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is CKCYLEAWNGESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-12-6-11(14(17)18)7-13(15-12)16(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid?
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 113380132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).