2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C32H22F4N4O4 — CID 58263933

About 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 58263933) has the molecular formula C32H22F4N4O4 and a molecular weight of 602.54 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 58263933
• Molecular Formula: C32H22F4N4O4
• Molecular Weight: 602.54 g/mol
• Exact Mass: 602.16
• IUPAC Name: 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)c5cccnc5F)c(C(F)(F)F)c4)cccc23)ccn1
• InChI: InChI=1S/C32H22F4N4O4/c1-37-31(43)26-17-19(12-14-38-26)44-28-9-3-5-20-21(6-2-7-22(20)28)27(41)16-18-10-11-25(24(15-18)32(34,35)36)40-30(42)23-8-4-13-39-29(23)33/h2-15,17H,16H2,1H3,(H,37,43)(H,40,42)
• InChIKey: LCFJZICXKHLKBQ-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.54
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 58263933) is 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)c5cccnc5F)c(C(F)(F)F)c4)cccc23)ccn1.

What is the InChIKey of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is LCFJZICXKHLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F4N4O4/c1-37-31(43)26-17-19(12-14-38-26)44-28-9-3-5-20-21(6-2-7-22(20)28)27(41)16-18-10-11-25(24(15-18)32(34,35)36)40-30(42)23-8-4-13-39-29(23)33/h2-15,17H,16H2,1H3,(H,37,43)(H,40,42).

What are the key properties of 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 602.54 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58263933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).