methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate

C15H16N2O4S — CID 5009139

IUPACmethyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCSCc2ccco2)nc1
InChIInChI=1S/C15H16N2O4S/c1-20-15(19)11-4-5-13(17-9-11)14(18)16-6-8-22-10-12-3-2-7-21-12/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)
InChIKeyTYMISQXHZGOYIY-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.12
Rot. Bonds7

About methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate

methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate (PubChem CID 5009139) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
PubChem CID5009139
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCCSCc2ccco2)nc1
InChIInChI=1S/C15H16N2O4S/c1-20-15(19)11-4-5-13(17-9-11)14(18)16-6-8-22-10-12-3-2-7-21-12/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)
InChIKeyTYMISQXHZGOYIY-UHFFFAOYSA-N
XLogP2.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 18113780
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27824397
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 46375725
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate (CID 5009139) is methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCCSCc2ccco2)nc1.
What is the InChIKey of methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is TYMISQXHZGOYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-15(19)11-4-5-13(17-9-11)14(18)16-6-8-22-10-12-3-2-7-21-12/h2-5,7,9H,6,8,10H2,1H3,(H,16,18).
What are the key properties of methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 5009139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).