N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide

C11H16N2O2S — CID 63960042

IUPACN-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCSCC(C)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-2)5-13-11(15)9-3-4-10(14)12-6-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFRPVNNPOUNJWNO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.10
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 63960042) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID63960042
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCSCC(C)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O2S/c1-8(7-16-2)5-13-11(15)9-3-4-10(14)12-6-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFRPVNNPOUNJWNO-UHFFFAOYSA-N
XLogP1.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 63960042) is N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide is CSCC(C)CNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FRPVNNPOUNJWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(7-16-2)5-13-11(15)9-3-4-10(14)12-6-9/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63960042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).