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

C27H32FN3O2 — CID 54591054

IUPAC6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H32FN3O2/c28-22-6-4-18(5-7-22)19-8-10-31(11-9-19)24-3-1-2-23(29-24)26(32)30-25-20-12-17-13-21(25)16-27(33,14-17)15-20/h1-7,17,19-21,25,33H,8-16H2,(H,30,32)
InChIKeyUTOWJAOXDYJUDJ-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.27
Rot. Bonds4

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

6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54591054) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54591054
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H32FN3O2/c28-22-6-4-18(5-7-22)19-8-10-31(11-9-19)24-3-1-2-23(29-24)26(32)30-25-20-12-17-13-21(25)16-27(33,14-17)15-20/h1-7,17,19-21,25,33H,8-16H2,(H,30,32)
InChIKeyUTOWJAOXDYJUDJ-UHFFFAOYSA-N
XLogP4.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54591054) is 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is UTOWJAOXDYJUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c28-22-6-4-18(5-7-22)19-8-10-31(11-9-19)24-3-1-2-23(29-24)26(32)30-25-20-12-17-13-21(25)16-27(33,14-17)15-20/h1-7,17,19-21,25,33H,8-16H2,(H,30,32).
What are the key properties of 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 449.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54591054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).