N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide

C12H18N2O2S — CID 18164039

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H18N2O2S/c1-8-6-9(2)14-12(16)10(8)7-13-11(15)4-5-17-3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWUYFBLSXVUFKGK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.36
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide (PubChem CID 18164039) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide
PubChem CID18164039
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H18N2O2S/c1-8-6-9(2)14-12(16)10(8)7-13-11(15)4-5-17-3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWUYFBLSXVUFKGK-UHFFFAOYSA-N
XLogP1.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide (CID 18164039) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is WUYFBLSXVUFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-9(2)14-12(16)10(8)7-13-11(15)4-5-17-3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 18164039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).