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

C28H32N4O2 — CID 54591902

IUPAC6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33)
InChIKeyIMCJKOCYTHOIMN-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.01
Rot. Bonds4

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

6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54591902) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54591902
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33)
InChIKeyIMCJKOCYTHOIMN-UHFFFAOYSA-N
XLogP4.01
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54591902) is 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is N#Cc1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is IMCJKOCYTHOIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c29-17-18-4-6-20(7-5-18)21-8-10-32(11-9-21)25-3-1-2-24(30-25)27(33)31-26-22-12-19-13-23(26)16-28(34,14-19)15-22/h1-7,19,21-23,26,34H,8-16H2,(H,31,33).
What are the key properties of 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54591902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).