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

C18H14BrF4N3O — CID 59334817

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc(Br)cc2F)CC1
InChIInChI=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)
InChIKeyIFKVRQSKFGSSGY-UHFFFAOYSA-N
MW444.23 g/mol
LogP4.78
Rot. Bonds3

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 Name1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID59334817
Molecular FormulaC18H14BrF4N3O
Molecular Weight444.23 g/mol
Exact Mass443.03
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncc(Br)cc2F)CC1
InChIInChI=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)
InChIKeyIFKVRQSKFGSSGY-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.23
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).