N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide

C21H29N3O2 — CID 54591819

IUPACN-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C21H29N3O2/c25-20(17-5-4-6-18(22-17)24-7-2-1-3-8-24)23-19-15-9-14-10-16(19)13-21(26,11-14)12-15/h4-6,14-16,19,26H,1-3,7-13H2,(H,23,25)
InChIKeyDPVUENSEHJVVGA-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.74
Rot. Bonds3

About N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 54591819) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide
PubChem CID54591819
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C21H29N3O2/c25-20(17-5-4-6-18(22-17)24-7-2-1-3-8-24)23-19-15-9-14-10-16(19)13-21(26,11-14)12-15/h4-6,14-16,19,26H,1-3,7-13H2,(H,23,25)
InChIKeyDPVUENSEHJVVGA-UHFFFAOYSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide (CID 54591819) is N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCCCC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is DPVUENSEHJVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(17-5-4-6-18(22-17)24-7-2-1-3-8-24)23-19-15-9-14-10-16(19)13-21(26,11-14)12-15/h4-6,14-16,19,26H,1-3,7-13H2,(H,23,25).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 54591819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).