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

C27H33N3O3 — CID 54591823

IUPACN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(c3ccccc3)CC2)n1
InChIInChI=1S/C27H33N3O3/c31-25(29-24-19-13-18-14-20(24)17-26(32,15-18)16-19)22-7-4-8-23(28-22)30-11-9-27(33,10-12-30)21-5-2-1-3-6-21/h1-8,18-20,24,32-33H,9-17H2,(H,29,31)
InChIKeyHAHKGLGDVSSJMQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.24
Rot. Bonds4

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

N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 54591823) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID54591823
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(c3ccccc3)CC2)n1
InChIInChI=1S/C27H33N3O3/c31-25(29-24-19-13-18-14-20(24)17-26(32,15-18)16-19)22-7-4-8-23(28-22)30-11-9-27(33,10-12-30)21-5-2-1-3-6-21/h1-8,18-20,24,32-33H,9-17H2,(H,29,31)
InChIKeyHAHKGLGDVSSJMQ-UHFFFAOYSA-N
XLogP3.24
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide (CID 54591823) is N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(c3ccccc3)CC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is HAHKGLGDVSSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-25(29-24-19-13-18-14-20(24)17-26(32,15-18)16-19)22-7-4-8-23(28-22)30-11-9-27(33,10-12-30)21-5-2-1-3-6-21/h1-8,18-20,24,32-33H,9-17H2,(H,29,31).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 54591823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).