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

C27H32FN5O3 — CID 54590965

IUPAC6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F
InChIInChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)
InChIKeyVMFSXMKOTZCREE-UHFFFAOYSA-N
MW493.58 g/mol
LogP2.32
Rot. Bonds5

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

6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54590965) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54590965
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F
InChIInChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)
InChIKeyVMFSXMKOTZCREE-UHFFFAOYSA-N
XLogP2.32
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-hydroxy-2-adamantyl)-6-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 67466819
6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67468209
6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67468039
N-(5-hydroxy-2-adamantyl)-6-[(2R)-4-[4-(1-hydroxycyclopropyl)phenyl]-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 67463119
6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67464213
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591981
6-[4-(4-carbamoyl-2-chlorophenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67467883
6-[(2R)-4-[4-(dimethylamino)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 67468551
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-(4-methoxyphenyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591134
N-(5-hydroxy-2-adamantyl)-6-[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 67468869
ethyl 2-[2-chloro-4-[(3R)-4-[6-[[(1R,3R)-5-hydroxy-2-adamantyl]carbamoyl]-2-pyridinyl]-3-methylpiperazin-1-yl]phenoxy]acetate
CID 140613331

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54590965) is 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is NC(=O)c1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F.
What is the InChIKey of 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is VMFSXMKOTZCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35).
What are the key properties of 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbamoyl-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).