N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide

C26H33N5O2 — CID 67467988

IUPACN-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C26H33N5O2/c32-25(29-24-20-11-19-12-21(24)15-26(33,13-19)14-20)22-4-1-5-23(28-22)31-9-7-30(8-10-31)17-18-3-2-6-27-16-18/h1-6,16,19-21,24,33H,7-15,17H2,(H,29,32)
InChIKeyZDZCNLLSPCUHPC-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.47
Rot. Bonds5

About N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 67467988) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID67467988
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C26H33N5O2/c32-25(29-24-20-11-19-12-21(24)15-26(33,13-19)14-20)22-4-1-5-23(28-22)31-9-7-30(8-10-31)17-18-3-2-6-27-16-18/h1-6,16,19-21,24,33H,7-15,17H2,(H,29,32)
InChIKeyZDZCNLLSPCUHPC-UHFFFAOYSA-N
XLogP2.47
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide (CID 67467988) is N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZDZCNLLSPCUHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c32-25(29-24-20-11-19-12-21(24)15-26(33,13-19)14-20)22-4-1-5-23(28-22)31-9-7-30(8-10-31)17-18-3-2-6-27-16-18/h1-6,16,19-21,24,33H,7-15,17H2,(H,29,32).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67467988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).