N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C13H20N2O3S — CID 103798697

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C13H20N2O3S/c1-7-5-8(2)14-12(17)11(7)13(18)15-9(3)10(6-16)19-4/h5,9-10,16H,6H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyCVMOCMONPCWAMF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.83
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 103798697) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID103798697
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C13H20N2O3S/c1-7-5-8(2)14-12(17)11(7)13(18)15-9(3)10(6-16)19-4/h5,9-10,16H,6H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyCVMOCMONPCWAMF-UHFFFAOYSA-N
XLogP0.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 103798697) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CSC(CO)C(C)NC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CVMOCMONPCWAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7-5-8(2)14-12(17)11(7)13(18)15-9(3)10(6-16)19-4/h5,9-10,16H,6H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103798697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).