4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid

C15H18N2O2S — CID 79494614

IUPAC4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C15H18N2O2S/c1-10-9-11(2)16-14(13(10)15(18)19)17(3)7-6-12-5-4-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKeyLTUPENFNJNCPNE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.14
Rot. Bonds5

About 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid

4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 79494614) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID79494614
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C15H18N2O2S/c1-10-9-11(2)16-14(13(10)15(18)19)17(3)7-6-12-5-4-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)
InChIKeyLTUPENFNJNCPNE-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
2-(dimethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678572
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
3-[3-methyl-4-[methyl(2-thiophen-2-ylethyl)amino]phenyl]prop-2-enoic acid
CID 79489148
2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61437514

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (CID 79494614) is 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N(C)CCc2cccs2)n1.
What is the InChIKey of 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LTUPENFNJNCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-9-11(2)16-14(13(10)15(18)19)17(3)7-6-12-5-4-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79494614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).