5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid

C23H20F3N3O3 — CID 69243400

About 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid

5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid (PubChem CID 69243400) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid
• PubChem CID: 69243400
• Molecular Formula: C23H20F3N3O3
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.15
• IUPAC Name: 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid
• SMILES: Cc1cc(C(F)(F)CCc2ccc(C(=O)O)nc2)cc(C(=O)NCc2cccc(F)c2)n1
• InChI: InChI=1S/C23H20F3N3O3/c1-14-9-17(23(25,26)8-7-15-5-6-19(22(31)32)27-12-15)11-20(29-14)21(30)28-13-16-3-2-4-18(24)10-16/h2-6,9-12H,7-8,13H2,1H3,(H,28,30)(H,31,32)
• InChIKey: XUBCLDZMLCHPRZ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 92.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid?

The IUPAC name of 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid (CID 69243400) is 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)CCc2ccc(C(=O)O)nc2)cc(C(=O)NCc2cccc(F)c2)n1.

What is the InChIKey of 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid?

The InChIKey is XUBCLDZMLCHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-14-9-17(23(25,26)8-7-15-5-6-19(22(31)32)27-12-15)11-20(29-14)21(30)28-13-16-3-2-4-18(24)10-16/h2-6,9-12H,7-8,13H2,1H3,(H,28,30)(H,31,32).

What are the key properties of 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid?

5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid has a molecular weight of 443.43 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,3-difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69243400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).