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

C28H28Cl2N2O3 — CID 24995604

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

(2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide (PubChem CID 24995604) has the molecular formula C28H28Cl2N2O3 and a molecular weight of 511.45 g/mol. Its IUPAC name is (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide
• PubChem CID: 24995604
• Molecular Formula: C28H28Cl2N2O3
• Molecular Weight: 511.45 g/mol
• Exact Mass: 510.15
• IUPAC Name: (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide
• SMILES: C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1
• InChIKey: CBNQOXMUNJAOJO-KEJDIYNNSA-N
• XLogP: 6.75
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.45
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide (CID 24995604) is (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide.

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

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

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

The InChIKey is CBNQOXMUNJAOJO-KEJDIYNNSA-N. The full InChI is InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1.

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

(2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide has a molecular weight of 511.45 g/mol, XLogP of 6.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-yl]-2-hydroxypropanamide is sourced from PubChem (CID 24995604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).