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

C26H22Cl3F3N2O3 — CID 46888688

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
InChIKeyWYLPBGSDNSBKPW-UHFFFAOYSA-N
MW573.83 g/mol
LogP7.41
Rot. Bonds4

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 46888688) has the molecular formula C26H22Cl3F3N2O3 and a molecular weight of 573.83 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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID46888688
Molecular FormulaC26H22Cl3F3N2O3
Molecular Weight573.83 g/mol
Exact Mass572.06
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
InChIKeyWYLPBGSDNSBKPW-UHFFFAOYSA-N
XLogP7.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.83
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 46888688) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC1(C)CC(NC(=O)C(C)(O)C(F)(F)F)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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is WYLPBGSDNSBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35).
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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 573.83 g/mol, XLogP of 7.41, 4 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]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 46888688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).