N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide

C26H23Cl2F3N2O3 — CID 52944154

About N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide

N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 52944154) has the molecular formula C26H23Cl2F3N2O3 and a molecular weight of 539.38 g/mol. Its IUPAC name is N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

• Compound Name: N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
• PubChem CID: 52944154
• Molecular Formula: C26H23Cl2F3N2O3
• Molecular Weight: 539.38 g/mol
• Exact Mass: 538.10
• IUPAC Name: N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
• SMILES: Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)C(NC(=O)C(O)C(F)(F)F)CC(C)(C)O2
• InChI: InChI=1S/C26H23Cl2F3N2O3/c1-13-10-16(28)8-9-17(13)21-18(14-4-6-15(27)7-5-14)11-19-20(12-25(2,3)36-24(19)33-21)32-23(35)22(34)26(29,30)31/h4-11,20,22,34H,12H2,1-3H3,(H,32,35)
• InChIKey: CHLLVQZFMABVHW-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.38
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide?

The IUPAC name of N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 52944154) is N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide.

What is the SMILES notation for N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide?

The canonical SMILES for N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)C(NC(=O)C(O)C(F)(F)F)CC(C)(C)O2.

What is the InChIKey of N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide?

The InChIKey is CHLLVQZFMABVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2F3N2O3/c1-13-10-16(28)8-9-17(13)21-18(14-4-6-15(27)7-5-14)11-19-20(12-25(2,3)36-24(19)33-21)32-23(35)22(34)26(29,30)31/h4-11,20,22,34H,12H2,1-3H3,(H,32,35).

What are the key properties of N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide?

N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 539.38 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 52944154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).