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

C24H22Cl2N2O3 — CID 24996566

IUPACN-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
InChIKeyXFJREZUFRMFGKX-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.43
Rot. Bonds4

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

N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (PubChem CID 24996566) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
PubChem CID24996566
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC NameN-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
InChIKeyXFJREZUFRMFGKX-UHFFFAOYSA-N
XLogP5.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (CID 24996566) is N-[7-(2-chlorophenyl)-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-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The InChIKey is XFJREZUFRMFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide has a molecular weight of 457.36 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 24996566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).