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

C12H18N2O3S — CID 103801419

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O3S/c1-7-4-10(16)9(5-13-7)12(17)14-8(2)11(6-15)18-3/h4-5,8,11,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyMBFUKHKHUHGFMQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.53
Rot. Bonds5

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103801419) 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)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103801419
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O3S/c1-7-4-10(16)9(5-13-7)12(17)14-8(2)11(6-15)18-3/h4-5,8,11,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyMBFUKHKHUHGFMQ-UHFFFAOYSA-N
XLogP0.53
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 103798853
methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 113429223
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 114152245
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696
4,5-difluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 106155652
2,3,4,5-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103867152
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247214
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696527
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103801419) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CSC(CO)C(C)NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MBFUKHKHUHGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7-4-10(16)9(5-13-7)12(17)14-8(2)11(6-15)18-3/h4-5,8,11,15H,6H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.53, 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)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103801419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).