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

C25H23Cl3N2O3 — CID 46891225

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide (PubChem CID 46891225) has the molecular formula C25H23Cl3N2O3 and a molecular weight of 505.83 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide.

Molecular Properties

• Compound Name: N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide
• PubChem CID: 46891225
• Molecular Formula: C25H23Cl3N2O3
• Molecular Weight: 505.83 g/mol
• Exact Mass: 504.08
• IUPAC Name: N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide
• SMILES: CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
• InChI: InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
• InChIKey: CQVVMULTZQAZBA-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.83
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide (CID 46891225) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide.

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

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

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

The InChIKey is CQVVMULTZQAZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32).

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide has a molecular weight of 505.83 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3-hydroxypropanamide is sourced from PubChem (CID 46891225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).