N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide

C25H24Cl2N2O4 — CID 67020223

IUPACN-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCOc1ccc(-c2nc3c(cc2-c2ccc(Cl)cc2)C(NC(=O)CO)CC(C)(C)O3)c(Cl)c1
InChIInChI=1S/C25H24Cl2N2O4/c1-25(2)12-21(28-22(31)13-30)19-11-18(14-4-6-15(26)7-5-14)23(29-24(19)33-25)17-9-8-16(32-3)10-20(17)27/h4-11,21,30H,12-13H2,1-3H3,(H,28,31)
InChIKeyFGAPWLKRZYOTDK-UHFFFAOYSA-N
MW487.38 g/mol
LogP5.44
Rot. Bonds5

About N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide

N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (PubChem CID 67020223) has the molecular formula C25H24Cl2N2O4 and a molecular weight of 487.38 g/mol. Its IUPAC name is N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
PubChem CID67020223
Molecular FormulaC25H24Cl2N2O4
Molecular Weight487.38 g/mol
Exact Mass486.11
IUPAC NameN-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCOc1ccc(-c2nc3c(cc2-c2ccc(Cl)cc2)C(NC(=O)CO)CC(C)(C)O3)c(Cl)c1
InChIInChI=1S/C25H24Cl2N2O4/c1-25(2)12-21(28-22(31)13-30)19-11-18(14-4-6-15(26)7-5-14)23(29-24(19)33-25)17-9-8-16(32-3)10-20(17)27/h4-11,21,30H,12-13H2,1-3H3,(H,28,31)
InChIKeyFGAPWLKRZYOTDK-UHFFFAOYSA-N
XLogP5.44
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide
CID 46888388
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
CID 24992427
methyl 3-chloro-4-[(4R)-6-(4-chlorophenyl)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydropyrano[2,3-b]pyridin-7-yl]benzoate
CID 67019957
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide
CID 24996887
N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 143730480
N-[6-(4-bromophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
CID 67020196
N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 24871527
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-N-methylsulfanyl-3,4-dihydropyrano[2,3-b]pyridin-4-amine
CID 143730457
N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide
CID 67020251
N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
CID 67020317
5-tert-butyl-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-1H-pyrazole-3-carboxamide
CID 67020013

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (CID 67020223) is N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is COc1ccc(-c2nc3c(cc2-c2ccc(Cl)cc2)C(NC(=O)CO)CC(C)(C)O3)c(Cl)c1.
What is the InChIKey of N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The InChIKey is FGAPWLKRZYOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4/c1-25(2)12-21(28-22(31)13-30)19-11-18(14-4-6-15(26)7-5-14)23(29-24(19)33-25)17-9-8-16(32-3)10-20(17)27/h4-11,21,30H,12-13H2,1-3H3,(H,28,31).
What are the key properties of N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide has a molecular weight of 487.38 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 67020223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).