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

C27H34N4O2 — CID 67465192

IUPAC6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C27H34N4O2/c32-26(29-25-21-13-20-14-22(25)17-27(33,15-20)16-21)23-7-4-8-24(28-23)31-11-9-30(10-12-31)18-19-5-2-1-3-6-19/h1-8,20-22,25,33H,9-18H2,(H,29,32)
InChIKeyOXQZXTFRINEPJS-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.07
Rot. Bonds5

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

6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67465192) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67465192
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C27H34N4O2/c32-26(29-25-21-13-20-14-22(25)17-27(33,15-20)16-21)23-7-4-8-24(28-23)31-11-9-30(10-12-31)18-19-5-2-1-3-6-19/h1-8,20-22,25,33H,9-18H2,(H,29,32)
InChIKeyOXQZXTFRINEPJS-UHFFFAOYSA-N
XLogP3.07
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67465192) is 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is OXQZXTFRINEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c32-26(29-25-21-13-20-14-22(25)17-27(33,15-20)16-21)23-7-4-8-24(28-23)31-11-9-30(10-12-31)18-19-5-2-1-3-6-19/h1-8,20-22,25,33H,9-18H2,(H,29,32).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67465192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).