N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide

C29H30Cl2N2O3 — CID 24995605

About N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide

N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 24995605) has the molecular formula C29H30Cl2N2O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide
• PubChem CID: 24995605
• Molecular Formula: C29H30Cl2N2O3
• Molecular Weight: 525.48 g/mol
• Exact Mass: 524.16
• IUPAC Name: N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide
• SMILES: CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34)
• InChIKey: UTPSWDIIQDVVTK-UHFFFAOYSA-N
• XLogP: 7.14
• 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	525.48
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide?

The IUPAC name of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide (CID 24995605) is N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21.

What is the InChIKey of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide?

The InChIKey is UTPSWDIIQDVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34).

What are the key properties of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide?

N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 525.48 g/mol, XLogP of 7.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 24995605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).