1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C18H14BrF4N3O — CID 59334817

About 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 59334817) has the molecular formula C18H14BrF4N3O and a molecular weight of 444.23 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• PubChem CID: 59334817
• Molecular Formula: C18H14BrF4N3O
• Molecular Weight: 444.23 g/mol
• Exact Mass: 443.03
• IUPAC Name: 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc(Br)cc2F)CC1
• InChI: InChI=1S/C18H14BrF4N3O/c19-13-9-15(20)16(24-10-13)26-7-5-11(6-8-26)17(27)25-14-3-1-12(2-4-14)18(21,22)23/h1-5,9-10H,6-8H2,(H,25,27)
• InChIKey: IFKVRQSKFGSSGY-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.23
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 59334817) is 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc(Br)cc2F)CC1.

What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The InChIKey is IFKVRQSKFGSSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF4N3O/c19-13-9-15(20)16(24-10-13)26-7-5-11(6-8-26)17(27)25-14-3-1-12(2-4-14)18(21,22)23/h1-5,9-10H,6-8H2,(H,25,27).

What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?

1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 444.23 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 59334817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).