2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide

C30H24F7N3O — CID 11534326

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 11534326) has the molecular formula C30H24F7N3O and a molecular weight of 575.53 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 11534326
• Molecular Formula: C30H24F7N3O
• Molecular Weight: 575.53 g/mol
• Exact Mass: 575.18
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: Cc1cc(F)ccc1-c1cc(-c2cccnc2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H24F7N3O/c1-17-10-22(31)7-8-23(17)24-14-25(18-6-5-9-38-15-18)39-16-26(24)40(4)27(41)28(2,3)19-11-20(29(32,33)34)13-21(12-19)30(35,36)37/h5-16H,1-4H3
• InChIKey: PKAMUZVUKXJIJJ-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 46.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.53
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide (CID 11534326) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide is Cc1cc(F)ccc1-c1cc(-c2cccnc2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is PKAMUZVUKXJIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F7N3O/c1-17-10-22(31)7-8-23(17)24-14-25(18-6-5-9-38-15-18)39-16-26(24)40(4)27(41)28(2,3)19-11-20(29(32,33)34)13-21(12-19)30(35,36)37/h5-16H,1-4H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 575.53 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11534326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).