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

C22H28F3N3O3 — CID 54591749

IUPACN-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)21(31)4-6-28(7-5-21)17-3-1-2-16(26-17)19(29)27-18-14-8-13-9-15(18)12-20(30,10-13)11-14/h1-3,13-15,18,30-31H,4-12H2,(H,27,29)
InChIKeyHZGHCNHMJRLODL-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.64
Rot. Bonds3

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

N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 54591749) has the molecular formula C22H28F3N3O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID54591749
Molecular FormulaC22H28F3N3O3
Molecular Weight439.48 g/mol
Exact Mass439.21
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C22H28F3N3O3/c23-22(24,25)21(31)4-6-28(7-5-21)17-3-1-2-16(26-17)19(29)27-18-14-8-13-9-15(18)12-20(30,10-13)11-14/h1-3,13-15,18,30-31H,4-12H2,(H,27,29)
InChIKeyHZGHCNHMJRLODL-UHFFFAOYSA-N
XLogP2.64
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.64
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-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide (CID 54591749) is N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(O)(C(F)(F)F)CC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is HZGHCNHMJRLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3/c23-22(24,25)21(31)4-6-28(7-5-21)17-3-1-2-16(26-17)19(29)27-18-14-8-13-9-15(18)12-20(30,10-13)11-14/h1-3,13-15,18,30-31H,4-12H2,(H,27,29).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.64, 3 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-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54591749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).