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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Related Compounds

N-[2-(cyclopentylsulfanyl)ethyl]-6-hydroxypyridine-3-carboxamide
CID 40059860
2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
CID 58957141
S-ethyl 2-oxo-1H-pyridine-3-carbothioate
CID 123196861
N-methyl-2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 166506402
2-[2-[2-(3-methyl-2-oxo-1-pyridinyl)ethylamino]-2-oxoethyl]sulfanyl-N-propylacetamide
CID 167261164
3-(thiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47289034
2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 51104190
N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71989380
N-(2-cyclopentylsulfanylethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 75414528
4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 75518309
1-ethyl-N-[3-(methylthio)propyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77095881
3-(methylthio)-N-[3-(2-oxopyridin-1(2H)-yl)propyl]propanamide
CID 86284386

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).