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

C26H25Cl3N2O3 — CID 24992427

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H25Cl3N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32)
InChIKeyWLWQLJYOYMGFPD-UHFFFAOYSA-N
MW519.86 g/mol
LogP6.87
Rot. Bonds4

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 24992427) has the molecular formula C26H25Cl3N2O3 and a molecular weight of 519.86 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]-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]-2-hydroxy-2-methylpropanamide
PubChem CID24992427
Molecular FormulaC26H25Cl3N2O3
Molecular Weight519.86 g/mol
Exact Mass518.09
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H25Cl3N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32)
InChIKeyWLWQLJYOYMGFPD-UHFFFAOYSA-N
XLogP6.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.86
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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]-2,2-dimethyl-3-phenylmethoxypropanamide
CID 24996887
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
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
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
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-N-methylsulfanyl-3,4-dihydropyrano[2,3-b]pyridin-4-amine
CID 143730457
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
N-[7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 52944154
N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3H-benzimidazole-5-carboxamide
CID 67020202
(2S)-N-[(4R)-6-(4-chlorophenyl)-7-(2-chloro-4-thiophen-3-ylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 67020194

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]-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]-2-hydroxy-2-methylpropanamide (CID 24992427) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-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]-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]-2-hydroxy-2-methylpropanamide is CC1(C)CC(NC(=O)C(C)(C)O)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]-2-hydroxy-2-methylpropanamide?
The InChIKey is WLWQLJYOYMGFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32).
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]-2-hydroxy-2-methylpropanamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 519.86 g/mol, XLogP of 6.87, 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]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 24992427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).