6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C28H34N4O3 — CID 67468209

IUPAC6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c29-26(33)20-6-4-18(5-7-20)19-8-10-32(11-9-19)24-3-1-2-23(30-24)27(34)31-25-21-12-17-13-22(25)16-28(35,14-17)15-21/h1-7,17,19,21-22,25,35H,8-16H2,(H2,29,33)(H,31,34)
InChIKeyMMBSHPNOBVYNMN-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.23
Rot. Bonds5

About 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67468209) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67468209
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c29-26(33)20-6-4-18(5-7-20)19-8-10-32(11-9-19)24-3-1-2-23(30-24)27(34)31-25-21-12-17-13-22(25)16-28(35,14-17)15-21/h1-7,17,19,21-22,25,35H,8-16H2,(H2,29,33)(H,31,34)
InChIKeyMMBSHPNOBVYNMN-UHFFFAOYSA-N
XLogP3.23
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67468209) is 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is NC(=O)c1ccc(C2CCN(c3cccc(C(=O)NC4C5CC6CC4CC(O)(C6)C5)n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is MMBSHPNOBVYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c29-26(33)20-6-4-18(5-7-20)19-8-10-32(11-9-19)24-3-1-2-23(30-24)27(34)31-25-21-12-17-13-22(25)16-28(35,14-17)15-21/h1-7,17,19,21-22,25,35H,8-16H2,(H2,29,33)(H,31,34).
What are the key properties of 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbamoylphenyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67468209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).