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

C13H18N2O2S — CID 114121663

IUPAC3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCSC1CCCC1Nc1cnccc1C(=O)O
InChIInChI=1S/C13H18N2O2S/c1-2-18-12-5-3-4-10(12)15-11-8-14-7-6-9(11)13(16)17/h6-8,10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyHCRYDJCCSCZWEY-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.87
Rot. Bonds5

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

3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114121663) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114121663
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCSC1CCCC1Nc1cnccc1C(=O)O
InChIInChI=1S/C13H18N2O2S/c1-2-18-12-5-3-4-10(12)15-11-8-14-7-6-9(11)13(16)17/h6-8,10,12,15H,2-5H2,1H3,(H,16,17)
InChIKeyHCRYDJCCSCZWEY-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114288751
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114121663) is 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid is CCSC1CCCC1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is HCRYDJCCSCZWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-18-12-5-3-4-10(12)15-11-8-14-7-6-9(11)13(16)17/h6-8,10,12,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid?
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 266.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114121663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).