2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid

C11H16N2O2S — CID 63960049

IUPAC2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
SMILESCSCC(C)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-2)6-13-10-5-9(11(14)15)3-4-12-10/h3-5,8H,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySSOIAAUCQLQRLD-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid

2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 63960049) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID63960049
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
SMILESCSCC(C)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-2)6-13-10-5-9(11(14)15)3-4-12-10/h3-5,8H,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySSOIAAUCQLQRLD-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid (CID 63960049) is 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid is CSCC(C)CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is SSOIAAUCQLQRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(7-16-2)6-13-10-5-9(11(14)15)3-4-12-10/h3-5,8H,6-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 63960049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).