N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide

C21H29N3O4S — CID 24955047

IUPACN-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20(23-19-16-9-14-10-17(19)13-21(26,11-14)12-16)15-4-7-24(8-5-15)29(27,28)18-3-1-2-6-22-18/h1-3,6,14-17,19,26H,4-5,7-13H2,(H,23,25)
InChIKeyPWVITUUKMYNQSU-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.54
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide

N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 24955047) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID24955047
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)c2ccccn2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20(23-19-16-9-14-10-17(19)13-21(26,11-14)12-16)15-4-7-24(8-5-15)29(27,28)18-3-1-2-6-22-18/h1-3,6,14-17,19,26H,4-5,7-13H2,(H,23,25)
InChIKeyPWVITUUKMYNQSU-UHFFFAOYSA-N
XLogP1.54
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
CID 24954685
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
CID 24956832
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591981
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
3-(3,4-dichlorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-1,3-thiazolidine-2-carboxamide
CID 53317318
N-(2-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 78799184
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
(2S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methylpyrrolidine-2-carboxamide
CID 71473430
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide (CID 24955047) is N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)c2ccccn2)CC1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PWVITUUKMYNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c25-20(23-19-16-9-14-10-17(19)13-21(26,11-14)12-16)15-4-7-24(8-5-15)29(27,28)18-3-1-2-6-22-18/h1-3,6,14-17,19,26H,4-5,7-13H2,(H,23,25).
What are the key properties of N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide?
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24955047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).