methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate

C15H22N2O3S — CID 133492487

IUPACmethyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
SMILESCCSC1CCCC1Nc1ccc(C(=O)OC)c(OC)n1
InChIInChI=1S/C15H22N2O3S/c1-4-21-12-7-5-6-11(12)16-13-9-8-10(15(18)20-3)14(17-13)19-2/h8-9,11-12H,4-7H2,1-3H3,(H,16,17)
InChIKeyHDPHTNRTUIROLM-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.96
Rot. Bonds6

About methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate

methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate (PubChem CID 133492487) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
PubChem CID133492487
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
SMILESCCSC1CCCC1Nc1ccc(C(=O)OC)c(OC)n1
InChIInChI=1S/C15H22N2O3S/c1-4-21-12-7-5-6-11(12)16-13-9-8-10(15(18)20-3)14(17-13)19-2/h8-9,11-12H,4-7H2,1-3H3,(H,16,17)
InChIKeyHDPHTNRTUIROLM-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
CID 133489109
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
methyl 6-[cyclohexyl(methyl)amino]-2-methoxypyridine-3-carboxylate
CID 133487931
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate (CID 133492487) is methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate is CCSC1CCCC1Nc1ccc(C(=O)OC)c(OC)n1.
What is the InChIKey of methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate?
The InChIKey is HDPHTNRTUIROLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-21-12-7-5-6-11(12)16-13-9-8-10(15(18)20-3)14(17-13)19-2/h8-9,11-12H,4-7H2,1-3H3,(H,16,17).
What are the key properties of methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate?
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133492487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).