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

C27H26Cl2N2O3 — CID 24994982

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

N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxyacetamide (PubChem CID 24994982) has the molecular formula C27H26Cl2N2O3 and a molecular weight of 497.42 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-hydroxyacetamide.

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-hydroxyacetamide
• PubChem CID: 24994982
• Molecular Formula: C27H26Cl2N2O3
• Molecular Weight: 497.42 g/mol
• Exact Mass: 496.13
• IUPAC Name: N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxyacetamide
• SMILES: O=C(CO)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33)
• InChIKey: BCESLUSANYXCOI-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.42
LogP ≤ 5	6.36
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-hydroxyacetamide?

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-hydroxyacetamide (CID 24994982) is N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxyacetamide.

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-hydroxyacetamide?

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-hydroxyacetamide is O=C(CO)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-hydroxyacetamide?

The InChIKey is BCESLUSANYXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33).

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-hydroxyacetamide?

N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxyacetamide has a molecular weight of 497.42 g/mol, XLogP of 6.36, 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-hydroxyacetamide is sourced from PubChem (CID 24994982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).