N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide

C13H18N2O2S — CID 47174936

IUPACN-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCSC1CCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O2S/c16-12-11(6-3-7-14-12)13(17)15-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,16)(H,15,17)
InChIKeyZEHOUGZUHSGECZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.78
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47174936) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47174936
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCSC1CCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O2S/c16-12-11(6-3-7-14-12)13(17)15-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,16)(H,15,17)
InChIKeyZEHOUGZUHSGECZ-UHFFFAOYSA-N
XLogP1.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 47174936) is N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCSC1CCCC1)c1ccc[nH]c1=O.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZEHOUGZUHSGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12-11(6-3-7-14-12)13(17)15-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47174936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).