5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C23H23FN2O3 — CID 66635643

IUPAC5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cn1
InChIInChI=1S/C23H23FN2O3/c24-18-4-2-1-3-17(18)21(27)14-5-6-19(25-12-14)22(28)26-20-15-7-13-8-16(20)11-23(29,9-13)10-15/h1-6,12-13,15-16,20,29H,7-11H2,(H,26,28)
InChIKeyXHEMZRLTPUDYPZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.12
Rot. Bonds4

About 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 66635643) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID66635643
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cn1
InChIInChI=1S/C23H23FN2O3/c24-18-4-2-1-3-17(18)21(27)14-5-6-19(25-12-14)22(28)26-20-15-7-13-8-16(20)11-23(29,9-13)10-15/h1-6,12-13,15-16,20,29H,7-11H2,(H,26,28)
InChIKeyXHEMZRLTPUDYPZ-UHFFFAOYSA-N
XLogP3.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 66635643) is 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1ccc(C(=O)c2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is XHEMZRLTPUDYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-18-4-2-1-3-17(18)21(27)14-5-6-19(25-12-14)22(28)26-20-15-7-13-8-16(20)11-23(29,9-13)10-15/h1-6,12-13,15-16,20,29H,7-11H2,(H,26,28).
What are the key properties of 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 66635643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).