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

C22H31N3O3 — CID 54591821

IUPACN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C22H31N3O3/c1-21(27)5-7-25(8-6-21)18-4-2-3-17(23-18)20(26)24-19-15-9-14-10-16(19)13-22(28,11-14)12-15/h2-4,14-16,19,27-28H,5-13H2,1H3,(H,24,26)
InChIKeyZJVFMQZGHZAALC-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.10
Rot. Bonds3

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

N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 54591821) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID54591821
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1(O)CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C22H31N3O3/c1-21(27)5-7-25(8-6-21)18-4-2-3-17(23-18)20(26)24-19-15-9-14-10-16(19)13-22(28,11-14)12-15/h2-4,14-16,19,27-28H,5-13H2,1H3,(H,24,26)
InChIKeyZJVFMQZGHZAALC-UHFFFAOYSA-N
XLogP2.10
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.10
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-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 54591821) is N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1(O)CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is ZJVFMQZGHZAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-21(27)5-7-25(8-6-21)18-4-2-3-17(23-18)20(26)24-19-15-9-14-10-16(19)13-22(28,11-14)12-15/h2-4,14-16,19,27-28H,5-13H2,1H3,(H,24,26).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.10, 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-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 54591821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).