N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

C12H18N2O3S — CID 103798848

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O3S/c1-8(10(7-15)18-3)13-12(17)9-4-5-14(2)11(16)6-9/h4-6,8,10,15H,7H2,1-3H3,(H,13,17)
InChIKeyPCDYCEWJEJWVLX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.23
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103798848) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103798848
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O3S/c1-8(10(7-15)18-3)13-12(17)9-4-5-14(2)11(16)6-9/h4-6,8,10,15H,7H2,1-3H3,(H,13,17)
InChIKeyPCDYCEWJEJWVLX-UHFFFAOYSA-N
XLogP0.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (CID 103798848) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is CSC(CO)C(C)NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is PCDYCEWJEJWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(10(7-15)18-3)13-12(17)9-4-5-14(2)11(16)6-9/h4-6,8,10,15H,7H2,1-3H3,(H,13,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103798848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).