2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

C30H31F6N3O2 — CID 18403344

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 18403344) has the molecular formula C30H31F6N3O2 and a molecular weight of 579.59 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 18403344
• Molecular Formula: C30H31F6N3O2
• Molecular Weight: 579.59 g/mol
• Exact Mass: 579.23
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: Cc1ccccc1-c1cc(N2CCC(O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3
• InChIKey: AYAQLUKQULPJEX-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.59
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 18403344) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is Cc1ccccc1-c1cc(N2CCC(O)CC2)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-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is AYAQLUKQULPJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F6N3O2/c1-18-7-5-6-8-23(18)24-16-26(39-11-9-22(40)10-12-39)37-17-25(24)38(4)27(41)28(2,3)19-13-20(29(31,32)33)15-21(14-19)30(34,35)36/h5-8,13-17,22,40H,9-12H2,1-4H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 579.59 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4-hydroxypiperidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 18403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).