2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide

C14H22N2O2S — CID 82151747

IUPAC2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
SMILESCC(C)CCOc1cccn(CC(C)C(N)=S)c1=O
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-8-18-12-5-4-7-16(14(12)17)9-11(3)13(15)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,15,19)
InChIKeyBZSRRFMFSUUQFY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.20
Rot. Bonds7

About 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide

2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide (PubChem CID 82151747) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
PubChem CID82151747
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
SMILESCC(C)CCOc1cccn(CC(C)C(N)=S)c1=O
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-8-18-12-5-4-7-16(14(12)17)9-11(3)13(15)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,15,19)
InChIKeyBZSRRFMFSUUQFY-UHFFFAOYSA-N
XLogP2.20
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanethioamide
CID 82151752
2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
CID 82151265
2-[[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745786
3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
CID 94758661
2-methyl-3-(1-oxo-6-propoxyisoquinolin-2-yl)propanethioamide
CID 82151792
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
CID 82151240
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
1-(2-methoxypropyl)-2-oxopyridine-3-carbothioamide
CID 107017787
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
4-[[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 82056220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide?
The IUPAC name of 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide (CID 82151747) is 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide.
What is the SMILES notation for 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide?
The canonical SMILES for 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide is CC(C)CCOc1cccn(CC(C)C(N)=S)c1=O.
What is the InChIKey of 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide?
The InChIKey is BZSRRFMFSUUQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)6-8-18-12-5-4-7-16(14(12)17)9-11(3)13(15)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H2,15,19).
What are the key properties of 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide?
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide has a molecular weight of 282.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide is sourced from PubChem (CID 82151747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).