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

C26H31FN4O2 — CID 54592059

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C26H31FN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)
InChIKeyHGLBQHRAJDJRGV-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.22
Rot. Bonds4

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

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54592059) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54592059
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C26H31FN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32)
InChIKeyHGLBQHRAJDJRGV-UHFFFAOYSA-N
XLogP3.22
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67465189
N-(5-hydroxy-2-adamantyl)-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetamide
CID 11495851
N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propionamide
CID 11676805
(R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propionamide
CID 44418859
6-[4-(4-aminophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590875
N-(5-hydroxy-2-adamantyl)-6-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 54590876
6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590877
6-[4-(2-chloro-4-cyanophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590878
6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590965
6-[4-(4-carbamoyl-2-chlorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590966
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54591053
N-(5-hydroxy-2-adamantyl)-6-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 54591214

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54592059) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is HGLBQHRAJDJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c27-20-4-6-21(7-5-20)30-8-10-31(11-9-30)23-3-1-2-22(28-23)25(32)29-24-18-12-17-13-19(24)16-26(33,14-17)15-18/h1-7,17-19,24,33H,8-16H2,(H,29,32).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54592059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).