6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide

C46H45BrF2N6O8 — CID 158501186

About 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide

6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 158501186) has the molecular formula C46H45BrF2N6O8 and a molecular weight of 927.80 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
• PubChem CID: 158501186
• Molecular Formula: C46H45BrF2N6O8
• Molecular Weight: 927.80 g/mol
• Exact Mass: 926.25
• IUPAC Name: 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide
• SMILES: C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(CC4COC4)c(C(N)=O)n3)c2)C1=O.NC(=O)c1nc(-c2cc(Br)ccc2F)ccc1CC1COC1
• InChI: InChI=1S/C23H22FN3O4.C16H14BrFN2O2.C7H9NO2/c1-27-9-8-23(30,22(27)29)7-6-14-2-4-18(24)17(11-14)19-5-3-16(10-15-12-31-13-15)20(26-19)21(25)28;17-11-2-3-13(18)12(6-11)14-4-1-10(5-9-7-22-8-9)15(20-14)16(19)21;1-3-7(10)4-5-8(2)6(7)9/h2-5,11,15,30H,8-10,12-13H2,1H3,(H2,25,28);1-4,6,9H,5,7-8H2,(H2,19,21);1,10H,4-5H2,2H3/t23-;;7-/m0.0/s1
• InChIKey: HJXKOVLHAKYTRZ-QFHCHAABSA-N
• XLogP: 3.27
• TPSA: 211.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	927.80
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?

The IUPAC name of 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide (CID 158501186) is 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?

The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide is C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3ccc(CC4COC4)c(C(N)=O)n3)c2)C1=O.NC(=O)c1nc(-c2cc(Br)ccc2F)ccc1CC1COC1.

What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?

The InChIKey is HJXKOVLHAKYTRZ-QFHCHAABSA-N. The full InChI is InChI=1S/C23H22FN3O4.C16H14BrFN2O2.C7H9NO2/c1-27-9-8-23(30,22(27)29)7-6-14-2-4-18(24)17(11-14)19-5-3-16(10-15-12-31-13-15)20(26-19)21(25)28;17-11-2-3-13(18)12(6-11)14-4-1-10(5-9-7-22-8-9)15(20-14)16(19)21;1-3-7(10)4-5-8(2)6(7)9/h2-5,11,15,30H,8-10,12-13H2,1H3,(H2,25,28);1-4,6,9H,5,7-8H2,(H2,19,21);1,10H,4-5H2,2H3/t23-;;7-/m0.0/s1.

What are the key properties of 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide?

6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 927.80 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-bromo-2-fluorophenyl)-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(oxetan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 158501186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).