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

C30H25Cl3N2O4 — CID 67020251

IUPACN-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide
SMILESCOc1cc(-c2cc3c(nc2-c2ccc(Cl)cc2Cl)OC(C)(C)CC3NC(=O)c2ccccc2O)ccc1Cl
InChIInChI=1S/C30H25Cl3N2O4/c1-30(2)15-24(34-28(37)19-6-4-5-7-25(19)36)21-14-20(16-8-11-22(32)26(12-16)38-3)27(35-29(21)39-30)18-10-9-17(31)13-23(18)33/h4-14,24,36H,15H2,1-3H3,(H,34,37)
InChIKeyWCVSEYWHRMGWCU-UHFFFAOYSA-N
MW583.90 g/mol
LogP8.12
Rot. Bonds5

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

N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide (PubChem CID 67020251) has the molecular formula C30H25Cl3N2O4 and a molecular weight of 583.90 g/mol. Its IUPAC name is N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide
PubChem CID67020251
Molecular FormulaC30H25Cl3N2O4
Molecular Weight583.90 g/mol
Exact Mass582.09
IUPAC NameN-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide
SMILESCOc1cc(-c2cc3c(nc2-c2ccc(Cl)cc2Cl)OC(C)(C)CC3NC(=O)c2ccccc2O)ccc1Cl
InChIInChI=1S/C30H25Cl3N2O4/c1-30(2)15-24(34-28(37)19-6-4-5-7-25(19)36)21-14-20(16-8-11-22(32)26(12-16)38-3)27(35-29(21)39-30)18-10-9-17(31)13-23(18)33/h4-14,24,36H,15H2,1-3H3,(H,34,37)
InChIKeyWCVSEYWHRMGWCU-UHFFFAOYSA-N
XLogP8.12
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.90
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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-[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-[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-[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]-3H-benzimidazole-5-carboxamide
CID 67020202
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-[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
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-[(4R)-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 67020246

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide?
The IUPAC name of 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) is N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide is COc1cc(-c2cc3c(nc2-c2ccc(Cl)cc2Cl)OC(C)(C)CC3NC(=O)c2ccccc2O)ccc1Cl.
What is the InChIKey of N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide?
The InChIKey is WCVSEYWHRMGWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl3N2O4/c1-30(2)15-24(34-28(37)19-6-4-5-7-25(19)36)21-14-20(16-8-11-22(32)26(12-16)38-3)27(35-29(21)39-30)18-10-9-17(31)13-23(18)33/h4-14,24,36H,15H2,1-3H3,(H,34,37).
What are the key properties of N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide?
N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide has a molecular weight of 583.90 g/mol, XLogP of 8.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-3-methoxyphenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 67020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).