6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C26H30N6O2 — CID 54591053

IUPAC6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)nc1
InChIInChI=1S/C26H30N6O2/c27-15-17-4-5-22(28-16-17)31-6-8-32(9-7-31)23-3-1-2-21(29-23)25(33)30-24-19-10-18-11-20(24)14-26(34,12-18)13-19/h1-5,16,18-20,24,34H,6-14H2,(H,30,33)
InChIKeyIWXCTECTOVHQKC-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.34
Rot. Bonds4

About 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54591053) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54591053
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)nc1
InChIInChI=1S/C26H30N6O2/c27-15-17-4-5-22(28-16-17)31-6-8-32(9-7-31)23-3-1-2-21(29-23)25(33)30-24-19-10-18-11-20(24)14-26(34,12-18)13-19/h1-5,16,18-20,24,34H,6-14H2,(H,30,33)
InChIKeyIWXCTECTOVHQKC-UHFFFAOYSA-N
XLogP2.34
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67465189
N-(5-hydroxy-2-adamantyl)-2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetamide
CID 11495851
HSD Inhibitor 23
CID 11634114
N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propionamide
CID 11676805
(R)-N-[(E)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propionamide
CID 44418859
6-[4-(4-aminophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590875
6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590877
6-[4-(2-chloro-4-cyanophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590878
6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 54590965
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-[4-(methylcarbamoyl)phenyl]piperazin-1-yl]pyridine-2-carboxamide
CID 54591293
N-(5-hydroxy-2-adamantyl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591749
N-(5-hydroxy-2-adamantyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 54591819

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54591053) is 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is N#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is IWXCTECTOVHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c27-15-17-4-5-22(28-16-17)31-6-8-32(9-7-31)23-3-1-2-21(29-23)25(33)30-24-19-10-18-11-20(24)14-26(34,12-18)13-19/h1-5,16,18-20,24,34H,6-14H2,(H,30,33).
What are the key properties of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54591053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).