N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide

C28H35N3O3 — CID 54591134

IUPACN-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H35N3O3/c1-34-23-7-5-19(6-8-23)20-9-11-31(12-10-20)25-4-2-3-24(29-25)27(32)30-26-21-13-18-14-22(26)17-28(33,15-18)16-21/h2-8,18,20-22,26,33H,9-17H2,1H3,(H,30,32)
InChIKeyPNGUAUIGKYRUEW-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.14
Rot. Bonds5

About N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 54591134) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID54591134
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H35N3O3/c1-34-23-7-5-19(6-8-23)20-9-11-31(12-10-20)25-4-2-3-24(29-25)27(32)30-26-21-13-18-14-22(26)17-28(33,15-18)16-21/h2-8,18,20-22,26,33H,9-17H2,1H3,(H,30,32)
InChIKeyPNGUAUIGKYRUEW-UHFFFAOYSA-N
XLogP4.14
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide (CID 54591134) is N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide is COc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is PNGUAUIGKYRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-34-23-7-5-19(6-8-23)20-9-11-31(12-10-20)25-4-2-3-24(29-25)27(32)30-26-21-13-18-14-22(26)17-28(33,15-18)16-21/h2-8,18,20-22,26,33H,9-17H2,1H3,(H,30,32).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-[4-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.14, 5 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-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54591134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).