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

C27H30FN5O2 — CID 54590877

IUPAC6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F
InChIInChI=1S/C27H30FN5O2/c28-22-12-21(5-4-18(22)16-29)32-6-8-33(9-7-32)24-3-1-2-23(30-24)26(34)31-25-19-10-17-11-20(25)15-27(35,13-17)14-19/h1-5,12,17,19-20,25,35H,6-11,13-15H2,(H,31,34)
InChIKeySFLLSNRVWLTTMW-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.09
Rot. Bonds4

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

6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 54590877) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID54590877
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Name6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F
InChIInChI=1S/C27H30FN5O2/c28-22-12-21(5-4-18(22)16-29)32-6-8-33(9-7-32)24-3-1-2-23(30-24)26(34)31-25-19-10-17-11-20(25)15-27(35,13-17)14-19/h1-5,12,17,19-20,25,35H,6-11,13-15H2,(H,31,34)
InChIKeySFLLSNRVWLTTMW-UHFFFAOYSA-N
XLogP3.09
TPSA92.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 54590877) is 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is N#Cc1ccc(N2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1F.
What is the InChIKey of 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is SFLLSNRVWLTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c28-22-12-21(5-4-18(22)16-29)32-6-8-33(9-7-32)24-3-1-2-23(30-24)26(34)31-25-19-10-17-11-20(25)15-27(35,13-17)14-19/h1-5,12,17,19-20,25,35H,6-11,13-15H2,(H,31,34).
What are the key properties of 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyano-3-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 54590877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).