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

C34H33Cl3N2O3 — CID 24996887

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)COCc2ccccc2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C34H33Cl3N2O3/c1-33(2,20-41-19-21-8-6-5-7-9-21)32(40)38-29-18-34(3,4)42-31-27(29)17-26(22-10-12-23(35)13-11-22)30(39-31)25-15-14-24(36)16-28(25)37/h5-17,29H,18-20H2,1-4H3,(H,38,40)
InChIKeyGALROZCSQAVJHJ-UHFFFAOYSA-N
MW624.01 g/mol
LogP9.34
Rot. Bonds8

About 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

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 (PubChem CID 24996887) has the molecular formula C34H33Cl3N2O3 and a molecular weight of 624.01 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]-2,2-dimethyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide
PubChem CID24996887
Molecular FormulaC34H33Cl3N2O3
Molecular Weight624.01 g/mol
Exact Mass622.16
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)COCc2ccccc2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C34H33Cl3N2O3/c1-33(2,20-41-19-21-8-6-5-7-9-21)32(40)38-29-18-34(3,4)42-31-27(29)17-26(22-10-12-23(35)13-11-22)30(39-31)25-15-14-24(36)16-28(25)37/h5-17,29H,18-20H2,1-4H3,(H,38,40)
InChIKeyGALROZCSQAVJHJ-UHFFFAOYSA-N
XLogP9.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.01
LogP ≤ 59.34
H-Bond Donors ≤ 51
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]-2,2-dimethyl-3-phenylmethoxypropanamide with MolForge

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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]-2,2-dimethyl-3-phenylmethoxypropanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide (CID 24996887) is 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.
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]-2,2-dimethyl-3-phenylmethoxypropanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-dimethyl-3-phenylmethoxypropanamide is CC1(C)CC(NC(=O)C(C)(C)COCc2ccccc2)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]-2,2-dimethyl-3-phenylmethoxypropanamide?
The InChIKey is GALROZCSQAVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33Cl3N2O3/c1-33(2,20-41-19-21-8-6-5-7-9-21)32(40)38-29-18-34(3,4)42-31-27(29)17-26(22-10-12-23(35)13-11-22)30(39-31)25-15-14-24(36)16-28(25)37/h5-17,29H,18-20H2,1-4H3,(H,38,40).
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]-2,2-dimethyl-3-phenylmethoxypropanamide?
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 has a molecular weight of 624.01 g/mol, XLogP of 9.34, 8 rotatable bonds, 1 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]-2,2-dimethyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 24996887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).