N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide

C15H24N2O4S — CID 122152979

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-10(2)13(18)15(3,4)9-17-14(19)12-11(22(5,20)21)7-6-8-16-12/h6-8,10,13,18H,9H2,1-5H3,(H,17,19)
InChIKeyZDSDWLXBYRKWTK-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.26
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide (PubChem CID 122152979) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
PubChem CID122152979
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-10(2)13(18)15(3,4)9-17-14(19)12-11(22(5,20)21)7-6-8-16-12/h6-8,10,13,18H,9H2,1-5H3,(H,17,19)
InChIKeyZDSDWLXBYRKWTK-UHFFFAOYSA-N
XLogP1.26
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methyl-1-benzofuran-2-carboxamide
CID 109381086
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide
CID 109381247
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide (CID 122152979) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1ncccc1S(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide?
The InChIKey is ZDSDWLXBYRKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10(2)13(18)15(3,4)9-17-14(19)12-11(22(5,20)21)7-6-8-16-12/h6-8,10,13,18H,9H2,1-5H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 122152979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).