2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

C17H27N3O4S — CID 42852218

IUPAC2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2nc(C)ccc2C(=O)NCCOC)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-25(22,23)20-10-7-14(8-11-20)16-15(6-5-13(2)19-16)17(21)18-9-12-24-3/h5-6,14H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyMHGLPHGIVJXFJI-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.30
Rot. Bonds7

About 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (PubChem CID 42852218) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
PubChem CID42852218
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2nc(C)ccc2C(=O)NCCOC)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-25(22,23)20-10-7-14(8-11-20)16-15(6-5-13(2)19-16)17(21)18-9-12-24-3/h5-6,14H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyMHGLPHGIVJXFJI-UHFFFAOYSA-N
XLogP1.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3864511
2-(1-benzylsulfonylpiperidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 4236861
6-methyl-2-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3852421
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
2-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 5183446
2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3267670
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
2-[1-[(2-ethoxyphenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3836869
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide
CID 42868192

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (CID 42852218) is 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is CCS(=O)(=O)N1CCC(c2nc(C)ccc2C(=O)NCCOC)CC1.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is MHGLPHGIVJXFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-25(22,23)20-10-7-14(8-11-20)16-15(6-5-13(2)19-16)17(21)18-9-12-24-3/h5-6,14H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42852218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).