1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide

C25H16F4N4O3 — CID 122480415

About 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide

1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide (PubChem CID 122480415) has the molecular formula C25H16F4N4O3 and a molecular weight of 496.42 g/mol. Its IUPAC name is 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
• PubChem CID: 122480415
• Molecular Formula: C25H16F4N4O3
• Molecular Weight: 496.42 g/mol
• Exact Mass: 496.12
• IUPAC Name: 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
• SMILES: O=C(Nc1ccc(-c2ccccc2F)nc1)c1ccc(OC(F)(F)F)c(C(=O)Nc2ccncc2)c1
• InChI: InChI=1S/C25H16F4N4O3/c26-20-4-2-1-3-18(20)21-7-6-17(14-31-21)33-23(34)15-5-8-22(36-25(27,28)29)19(13-15)24(35)32-16-9-11-30-12-10-16/h1-14H,(H,33,34)(H,30,32,35)
• InChIKey: SYJIAZOMQGOYEJ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.42
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide (CID 122480415) is 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide is O=C(Nc1ccc(-c2ccccc2F)nc1)c1ccc(OC(F)(F)F)c(C(=O)Nc2ccncc2)c1.

What is the InChIKey of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?

The InChIKey is SYJIAZOMQGOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N4O3/c26-20-4-2-1-3-18(20)21-7-6-17(14-31-21)33-23(34)15-5-8-22(36-25(27,28)29)19(13-15)24(35)32-16-9-11-30-12-10-16/h1-14H,(H,33,34)(H,30,32,35).

What are the key properties of 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?

1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide has a molecular weight of 496.42 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide is sourced from PubChem (CID 122480415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).