N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

C26H25BrCl2N2O3 — CID 67020196

About N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide

N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 67020196) has the molecular formula C26H25BrCl2N2O3 and a molecular weight of 564.31 g/mol. Its IUPAC name is N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
• PubChem CID: 67020196
• Molecular Formula: C26H25BrCl2N2O3
• Molecular Weight: 564.31 g/mol
• Exact Mass: 562.04
• IUPAC Name: N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
• SMILES: CC1(C)CC(NC(=O)C(C)(C)O)c2cc(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
• InChI: InChI=1S/C26H25BrCl2N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32)
• InChIKey: OICXSVFBBSRRLF-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.31
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?

The IUPAC name of N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (CID 67020196) is N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is CC1(C)CC(NC(=O)C(C)(C)O)c2cc(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.

What is the InChIKey of N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?

The InChIKey is OICXSVFBBSRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrCl2N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32).

What are the key properties of N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide?

N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 564.31 g/mol, XLogP of 6.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 67020196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).