N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide

C13H20N2O2S — CID 103709324

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc(=O)[nH]c1)SC
InChIInChI=1S/C13H20N2O2S/c1-4-13(5-2,18-3)9-15-12(17)10-6-7-11(16)14-8-10/h6-8H,4-5,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGJHFMAIWHNYQFB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.03
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 103709324) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID103709324
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccc(=O)[nH]c1)SC
InChIInChI=1S/C13H20N2O2S/c1-4-13(5-2,18-3)9-15-12(17)10-6-7-11(16)14-8-10/h6-8H,4-5,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGJHFMAIWHNYQFB-UHFFFAOYSA-N
XLogP2.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide (CID 103709324) is N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide is CCC(CC)(CNC(=O)c1ccc(=O)[nH]c1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GJHFMAIWHNYQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-13(5-2,18-3)9-15-12(17)10-6-7-11(16)14-8-10/h6-8H,4-5,9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103709324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).