N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide

C23H25Cl2N3O4 — CID 176846777

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
SMILESCCn1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
InChIInChI=1S/C23H25Cl2N3O4/c1-4-28-8-7-14(11-19(28)30)23(2,3)22(32)26-12-13-9-16(24)20(17(25)10-13)15-5-6-18(29)27-21(15)31/h7-11,15H,4-6,12H2,1-3H3,(H,26,32)(H,27,29,31)
InChIKeyWSPRHPHRUAUMEV-UHFFFAOYSA-N
MW478.38 g/mol
LogP3.29
Rot. Bonds6

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide (PubChem CID 176846777) has the molecular formula C23H25Cl2N3O4 and a molecular weight of 478.38 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
PubChem CID176846777
Molecular FormulaC23H25Cl2N3O4
Molecular Weight478.38 g/mol
Exact Mass477.12
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
SMILESCCn1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
InChIInChI=1S/C23H25Cl2N3O4/c1-4-28-8-7-14(11-19(28)30)23(2,3)22(32)26-12-13-9-16(24)20(17(25)10-13)15-5-6-18(29)27-21(15)31/h7-11,15H,4-6,12H2,1-3H3,(H,26,32)(H,27,29,31)
InChIKeyWSPRHPHRUAUMEV-UHFFFAOYSA-N
XLogP3.29
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
CID 176846793
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
CID 176846824
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(1,2-oxazol-3-yl)propanamide
CID 176846823
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoropyrimidin-2-yl)-2-methylpropanamide
CID 176846759
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(5-methyl-1,3-oxazol-4-yl)propanamide
CID 176846835
2-(4-cyano-2-pyridinyl)-N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methylpropanamide
CID 176846888
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
CID 176846930
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
CID 176846748
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide
CID 176846924
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-methyl-2-phenylpropanamide
CID 162670524
3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
CID 171541166

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide (CID 176846777) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide is CCn1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide?
The InChIKey is WSPRHPHRUAUMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4/c1-4-28-8-7-14(11-19(28)30)23(2,3)22(32)26-12-13-9-16(24)20(17(25)10-13)15-5-6-18(29)27-21(15)31/h7-11,15H,4-6,12H2,1-3H3,(H,26,32)(H,27,29,31).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide has a molecular weight of 478.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 176846777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).