5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid

C11H16N2O2S — CID 104638983

IUPAC5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCSCC(C)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKURNFKYSPLBSNJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.97
Rot. Bonds5

About 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid

5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid (PubChem CID 104638983) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
PubChem CID104638983
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCSCC(C)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKURNFKYSPLBSNJ-UHFFFAOYSA-N
XLogP1.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
CID 115268096
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
5-(2-methylbutylsulfanyl)pyridine-2-carboxylic acid
CID 107747326

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid (CID 104638983) is 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid is CSCC(C)N(C)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is KURNFKYSPLBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(7-16-3)13(2)9-4-5-10(11(14)15)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid?
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).