N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide

C13H19N3O2S — CID 91144202

IUPACN-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(S)CC(NC(=O)c2ccccn2)C1O
InChIInChI=1S/C13H19N3O2S/c1-13(2)8-16(19)7-10(11(13)17)15-12(18)9-5-3-4-6-14-9/h3-6,10-11,17,19H,7-8H2,1-2H3,(H,15,18)
InChIKeyHIDPOMDJGIZRSB-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.73
Rot. Bonds2

About N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide

N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 91144202) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide
PubChem CID91144202
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide
SMILESCC1(C)CN(S)CC(NC(=O)c2ccccn2)C1O
InChIInChI=1S/C13H19N3O2S/c1-13(2)8-16(19)7-10(11(13)17)15-12(18)9-5-3-4-6-14-9/h3-6,10-11,17,19H,7-8H2,1-2H3,(H,15,18)
InChIKeyHIDPOMDJGIZRSB-UHFFFAOYSA-N
XLogP0.73
TPSA65.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110133329

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide (CID 91144202) is N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide is CC1(C)CN(S)CC(NC(=O)c2ccccn2)C1O.
What is the InChIKey of N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is HIDPOMDJGIZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-13(2)8-16(19)7-10(11(13)17)15-12(18)9-5-3-4-6-14-9/h3-6,10-11,17,19H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide?
N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-5,5-dimethyl-1-sulfanylpiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 91144202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).