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

C24H21Cl3N2O2 — CID 46888388

IUPACN-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H21Cl3N2O2/c1-13(30)28-21-12-24(2,3)31-23-19(21)11-18(14-4-6-15(25)7-5-14)22(29-23)17-9-8-16(26)10-20(17)27/h4-11,21H,12H2,1-3H3,(H,28,30)/t21-/m0/s1
InChIKeyGJOOHWJFYSUFIU-NRFANRHFSA-N
MW475.80 g/mol
LogP7.11
Rot. Bonds3

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

N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide (PubChem CID 46888388) has the molecular formula C24H21Cl3N2O2 and a molecular weight of 475.80 g/mol. Its IUPAC name is N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide
PubChem CID46888388
Molecular FormulaC24H21Cl3N2O2
Molecular Weight475.80 g/mol
Exact Mass474.07
IUPAC NameN-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H21Cl3N2O2/c1-13(30)28-21-12-24(2,3)31-23-19(21)11-18(14-4-6-15(25)7-5-14)22(29-23)17-9-8-16(26)10-20(17)27/h4-11,21H,12H2,1-3H3,(H,28,30)/t21-/m0/s1
InChIKeyGJOOHWJFYSUFIU-NRFANRHFSA-N
XLogP7.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.80
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
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
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-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxy-2-methylpropanamide
CID 67020199
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-[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-[(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
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-methylphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 52944154
(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-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide?
The IUPAC name of N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide (CID 46888388) is N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide?
The canonical SMILES for N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide is CC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide?
The InChIKey is GJOOHWJFYSUFIU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21Cl3N2O2/c1-13(30)28-21-12-24(2,3)31-23-19(21)11-18(14-4-6-15(25)7-5-14)22(29-23)17-9-8-16(26)10-20(17)27/h4-11,21H,12H2,1-3H3,(H,28,30)/t21-/m0/s1.
What are the key properties of N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide?
N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide has a molecular weight of 475.80 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]acetamide is sourced from PubChem (CID 46888388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).