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

C10H14N2O4S — CID 114288792

IUPAC3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-12(5-6-17(2,15)16)9-7-11-4-3-8(9)10(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyMZCHQKMKZWIFIR-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.26
Rot. Bonds5

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

3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid (PubChem CID 114288792) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
PubChem CID114288792
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-12(5-6-17(2,15)16)9-7-11-4-3-8(9)10(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyMZCHQKMKZWIFIR-UHFFFAOYSA-N
XLogP0.26
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105062562
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062817
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676
3-[methyl(2-methylsulfonylethyl)amino]-2-nitrobenzoic acid
CID 115542570
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611
3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 79850557
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid (CID 114288792) is 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid is CN(CCS(C)(=O)=O)c1cnccc1C(=O)O.
What is the InChIKey of 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is MZCHQKMKZWIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(5-6-17(2,15)16)9-7-11-4-3-8(9)10(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).