4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

C15H18N2O2S — CID 61477361

IUPAC4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXVAUJJJNCMWKQT-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.94
Rot. Bonds4

About 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 61477361) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID61477361
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXVAUJJJNCMWKQT-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 61477361) is 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is XVAUJJJNCMWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61477361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).