6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide

C16H23N3O4S — CID 97345846

IUPAC6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1
InChIInChI=1S/C16H23N3O4S/c1-11-5-3-6-12(2)19(11)15(20)10-24(22,23)9-13-7-4-8-14(18-13)16(17)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,17,21)/t11-,12-/m1/s1
InChIKeyNDWABFPQZONMQO-VXGBXAGGSA-N
MW353.44 g/mol
LogP0.88
Rot. Bonds5

About 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide

6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide (PubChem CID 97345846) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide
PubChem CID97345846
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1
InChIInChI=1S/C16H23N3O4S/c1-11-5-3-6-12(2)19(11)15(20)10-24(22,23)9-13-7-4-8-14(18-13)16(17)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,17,21)/t11-,12-/m1/s1
InChIKeyNDWABFPQZONMQO-VXGBXAGGSA-N
XLogP0.88
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone
CID 94025472
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
6-[(3-methylcyclohexyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903841
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
6-(benzylsulfonylmethyl)pyridine-2-carboxylic acid
CID 106903821
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfonyl]ethanone
CID 95762005
6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903850

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide (CID 97345846) is 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide is C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1cccc(C(N)=O)n1.
What is the InChIKey of 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide?
The InChIKey is NDWABFPQZONMQO-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11-5-3-6-12(2)19(11)15(20)10-24(22,23)9-13-7-4-8-14(18-13)16(17)21/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H2,17,21)/t11-,12-/m1/s1.
What are the key properties of 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide?
6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 97345846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).