5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid

C13H18N2O2S — CID 114123524

IUPAC5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCSC1CCCCC1Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O2S/c1-18-12-5-3-2-4-10(12)15-9-6-7-11(13(16)17)14-8-9/h6-8,10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyRHKCQTLUDVWZHN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.87
Rot. Bonds4

About 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid

5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 114123524) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID114123524
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCSC1CCCCC1Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O2S/c1-18-12-5-3-2-4-10(12)15-9-6-7-11(13(16)17)14-8-9/h6-8,10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyRHKCQTLUDVWZHN-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 115490910
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737
6-[(2-methylsulfanylcyclohexyl)amino]pyridazine-3-carboxamide
CID 103715276
5-bromo-2-[(2-methylsulfanylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114123510
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
2-methyl-N-(2-methylsulfanylcyclohexyl)pyridin-4-amine
CID 104924401
2-chloro-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 114123522
N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
CID 103704015
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
CID 113435928
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
5-[(2-methylsulfanylcyclopentyl)amino]pyrazine-2-carbothioamide
CID 114121592

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 114123524) is 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid is CSC1CCCCC1Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is RHKCQTLUDVWZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18-12-5-3-2-4-10(12)15-9-6-7-11(13(16)17)14-8-9/h6-8,10,12,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid?
5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).