N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide

C26H32N4O2 — CID 54591981

IUPACN-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccccn3)CC2)n1
InChIInChI=1S/C26H32N4O2/c31-25(29-24-19-12-17-13-20(24)16-26(32,14-17)15-19)22-5-3-6-23(28-22)30-10-7-18(8-11-30)21-4-1-2-9-27-21/h1-6,9,17-20,24,32H,7-8,10-16H2,(H,29,31)
InChIKeyGPTUKFNMFWMSHR-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.53
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 54591981) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID54591981
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccccn3)CC2)n1
InChIInChI=1S/C26H32N4O2/c31-25(29-24-19-12-17-13-20(24)16-26(32,14-17)15-19)22-5-3-6-23(28-22)30-10-7-18(8-11-30)21-4-1-2-9-27-21/h1-6,9,17-20,24,32H,7-8,10-16H2,(H,29,31)
InChIKeyGPTUKFNMFWMSHR-UHFFFAOYSA-N
XLogP3.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-adamantyl)-6-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 67466819
6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67468209
N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591134
6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590965
6-[(3R)-4-[6-[(5-hydroxy-2-adamantyl)carbamoyl]-2-pyridinyl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 67468478
6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67464213
N-(5-hydroxy-2-adamantyl)-6-[(2R)-4-[4-(1-hydroxycyclopropyl)phenyl]-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 67463119
N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 67467861
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]pyridine-2-carboxamide
CID 67468040
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-[4-(methylcarbamoyl)phenyl]piperazin-1-yl]pyridine-2-carboxamide
CID 54591293
6-[(2R)-4-[4-(dimethylamino)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67468551
N-(5-hydroxy-2-adamantyl)-6-[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 67468869

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide (CID 54591981) is N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccccn3)CC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is GPTUKFNMFWMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-25(29-24-19-12-17-13-20(24)16-26(32,14-17)15-19)22-5-3-6-23(28-22)30-10-7-18(8-11-30)21-4-1-2-9-27-21/h1-6,9,17-20,24,32H,7-8,10-16H2,(H,29,31).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.53, 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)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 54591981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).