ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate

C14H20N2O2S — CID 114047771

IUPACethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1SCC1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-2-18-14(17)12-7-11(15)8-16-13(12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9,15H2,1H3
InChIKeyYADSUGZYFOGKGL-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.12
Rot. Bonds5

About ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate

ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate (PubChem CID 114047771) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate
PubChem CID114047771
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Nameethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1SCC1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-2-18-14(17)12-7-11(15)8-16-13(12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9,15H2,1H3
InChIKeyYADSUGZYFOGKGL-UHFFFAOYSA-N
XLogP3.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-amino-2-(cyclopentylmethoxy)pyridine-3-carboxamide
CID 66322147
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5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 4-amino-2-[(1-methylpyrrolidin-3-yl)methylsulfanyl]pyrimidine-5-carboxylate
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ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
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3-(cyclopentylmethylsulfanyl)-5-ethoxyaniline
CID 80736591

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate (CID 114047771) is ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1SCC1CCCC1.
What is the InChIKey of ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate?
The InChIKey is YADSUGZYFOGKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-18-14(17)12-7-11(15)8-16-13(12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9,15H2,1H3.
What are the key properties of ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate?
ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate has a molecular weight of 280.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(cyclopentylmethylsulfanyl)pyridine-3-carboxylate is sourced from PubChem (CID 114047771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).