N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide

C26H39N5O2 — CID 67467861

IUPACN-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC1CN(C2CCNCC2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C26H39N5O2/c1-17-16-30(21-5-7-27-8-6-21)9-10-31(17)23-4-2-3-22(28-23)25(32)29-24-19-11-18-12-20(24)15-26(33,13-18)14-19/h2-4,17-21,24,27,33H,5-16H2,1H3,(H,29,32)
InChIKeyOKPQOJWNMLHMHS-UHFFFAOYSA-N
MW453.63 g/mol
LogP2.01
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 67467861) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID67467861
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCC1CN(C2CCNCC2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C26H39N5O2/c1-17-16-30(21-5-7-27-8-6-21)9-10-31(17)23-4-2-3-22(28-23)25(32)29-24-19-11-18-12-20(24)15-26(33,13-18)14-19/h2-4,17-21,24,27,33H,5-16H2,1H3,(H,29,32)
InChIKeyOKPQOJWNMLHMHS-UHFFFAOYSA-N
XLogP2.01
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 67467861) is N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide is CC1CN(C2CCNCC2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is OKPQOJWNMLHMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-17-16-30(21-5-7-27-8-6-21)9-10-31(17)23-4-2-3-22(28-23)25(32)29-24-19-11-18-12-20(24)15-26(33,13-18)14-19/h2-4,17-21,24,27,33H,5-16H2,1H3,(H,29,32).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-(2-methyl-4-piperidin-4-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 67467861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).