N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H20N2O2S — CID 103709486

IUPACN-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C14H20N2O2S/c1-3-19-12-5-4-11(9-12)15-14(18)10-6-7-16(2)13(17)8-10/h6-8,11-12H,3-5,9H2,1-2H3,(H,15,18)
InChIKeyYIPWUJVTNUQXHM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.79
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103709486) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103709486
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C14H20N2O2S/c1-3-19-12-5-4-11(9-12)15-14(18)10-6-7-16(2)13(17)8-10/h6-8,11-12H,3-5,9H2,1-2H3,(H,15,18)
InChIKeyYIPWUJVTNUQXHM-UHFFFAOYSA-N
XLogP1.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 103709486) is N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide is CCSC1CCC(NC(=O)c2ccn(C)c(=O)c2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is YIPWUJVTNUQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-19-12-5-4-11(9-12)15-14(18)10-6-7-16(2)13(17)8-10/h6-8,11-12H,3-5,9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103709486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).