6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide

C23H19Cl3N2O2 — CID 46891274

IUPAC6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide
SMILESCC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29)
InChIKeyYYFWEVOTTPIJNN-UHFFFAOYSA-N
MW461.78 g/mol
LogP6.51
Rot. Bonds3

About 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide (PubChem CID 46891274) has the molecular formula C23H19Cl3N2O2 and a molecular weight of 461.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide
PubChem CID46891274
Molecular FormulaC23H19Cl3N2O2
Molecular Weight461.78 g/mol
Exact Mass460.05
IUPAC Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide
SMILESCC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29)
InChIKeyYYFWEVOTTPIJNN-UHFFFAOYSA-N
XLogP6.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide (CID 46891274) is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide is CC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.
What is the InChIKey of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide?
The InChIKey is YYFWEVOTTPIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29).
What are the key properties of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide has a molecular weight of 461.78 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 46891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).