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

C27H28Cl2N2O4 — CID 67020199

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

N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 67020199) has the molecular formula C27H28Cl2N2O4 and a molecular weight of 515.44 g/mol. Its IUPAC name is N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
• PubChem CID: 67020199
• Molecular Formula: C27H28Cl2N2O4
• Molecular Weight: 515.44 g/mol
• Exact Mass: 514.14
• IUPAC Name: N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
• SMILES: COc1ccc(-c2cc3c(nc2-c2ccc(Cl)cc2Cl)OC(C)(C)CC3NC(=O)C(C)(C)O)cc1
• InChI: InChI=1S/C27H28Cl2N2O4/c1-26(2)14-22(30-25(32)27(3,4)33)20-13-19(15-6-9-17(34-5)10-7-15)23(31-24(20)35-26)18-11-8-16(28)12-21(18)29/h6-13,22,33H,14H2,1-5H3,(H,30,32)
• InChIKey: DKGIYTFTYMXKCP-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.44
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (CID 67020199) is N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide.

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

The canonical SMILES for N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is COc1ccc(-c2cc3c(nc2-c2ccc(Cl)cc2Cl)OC(C)(C)CC3NC(=O)C(C)(C)O)cc1.

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

The InChIKey is DKGIYTFTYMXKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O4/c1-26(2)14-22(30-25(32)27(3,4)33)20-13-19(15-6-9-17(34-5)10-7-15)23(31-24(20)35-26)18-11-8-16(28)12-21(18)29/h6-13,22,33H,14H2,1-5H3,(H,30,32).

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

N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 515.44 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 67020199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).