N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide

C36H24BrClFN5O4 — CID 123555427

About N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide

N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide (PubChem CID 123555427) has the molecular formula C36H24BrClFN5O4 and a molecular weight of 724.97 g/mol. Its IUPAC name is N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide
• PubChem CID: 123555427
• Molecular Formula: C36H24BrClFN5O4
• Molecular Weight: 724.97 g/mol
• Exact Mass: 723.07
• IUPAC Name: N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(-c4cc(Br)cc(C(=O)Nc5cccc(Oc6cncc(F)c6)c5)c4)c3)c2)n1
• InChI: InChI=1S/C36H24BrClFN5O4/c1-21-4-2-7-34(42-21)36(46)44-29-12-26(38)13-31(16-29)48-32-11-24(17-40-19-32)22-8-23(10-25(37)9-22)35(45)43-28-5-3-6-30(15-28)47-33-14-27(39)18-41-20-33/h2-20H,1H3,(H,43,45)(H,44,46)
• InChIKey: LZFFJBUZPZYGHK-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 115.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.97
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide (CID 123555427) is N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(-c4cc(Br)cc(C(=O)Nc5cccc(Oc6cncc(F)c6)c5)c4)c3)c2)n1.

What is the InChIKey of N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide?

The InChIKey is LZFFJBUZPZYGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrClFN5O4/c1-21-4-2-7-34(42-21)36(46)44-29-12-26(38)13-31(16-29)48-32-11-24(17-40-19-32)22-8-23(10-25(37)9-22)35(45)43-28-5-3-6-30(15-28)47-33-14-27(39)18-41-20-33/h2-20H,1H3,(H,43,45)(H,44,46).

What are the key properties of N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide?

N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 724.97 g/mol, XLogP of 9.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[3-bromo-5-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]carbamoyl]phenyl]-3-pyridinyl]oxy]-5-chlorophenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 123555427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).