N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C16H18N2O3S — CID 71803786

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-18-9-3-4-13(16(18)21)15(20)17-10-14(19)11-5-7-12(22-2)8-6-11/h3-9,14,19H,10H2,1-2H3,(H,17,20)
InChIKeyWHTCYTFOIUUGHO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.57
Rot. Bonds5

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71803786) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71803786
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-18-9-3-4-13(16(18)21)15(20)17-10-14(19)11-5-7-12(22-2)8-6-11/h3-9,14,19H,10H2,1-2H3,(H,17,20)
InChIKeyWHTCYTFOIUUGHO-UHFFFAOYSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884931
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47441467
2-(benzylthio)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803813
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclohex-3-enecarboxamide
CID 71803838
N1-benzyl-N2-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)oxalamide
CID 71803886
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91630819
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]cyclopropanecarboxamide
CID 97416756
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl](cyclopentylthio)acetamide
CID 97416806
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]3-(phenylthio)propionamide
CID 97416856
4,4,4-trifluoro-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)butanamide
CID 90581892
3-(2-fluorophenyl)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)propanamide
CID 90581893
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94209575

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71803786) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is CSc1ccc(C(O)CNC(=O)c2cccn(C)c2=O)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is WHTCYTFOIUUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18-9-3-4-13(16(18)21)15(20)17-10-14(19)11-5-7-12(22-2)8-6-11/h3-9,14,19H,10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71803786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).