N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide

C22H23Cl2N3O3 — CID 176846793

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H23Cl2N3O3/c1-12-4-5-14(11-25-12)22(2,3)21(30)26-10-13-8-16(23)19(17(24)9-13)15-6-7-18(28)27-20(15)29/h4-5,8-9,11,15H,6-7,10H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyWECFCNYFPUWHSE-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.81
Rot. Bonds5

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide (PubChem CID 176846793) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
PubChem CID176846793
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H23Cl2N3O3/c1-12-4-5-14(11-25-12)22(2,3)21(30)26-10-13-8-16(23)19(17(24)9-13)15-6-7-18(28)27-20(15)29/h4-5,8-9,11,15H,6-7,10H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyWECFCNYFPUWHSE-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(5-methyl-1,3-oxazol-4-yl)propanamide
CID 176846835
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-(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-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
CID 176846777
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
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
CID 164563310
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide (CID 176846793) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide is Cc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide?
The InChIKey is WECFCNYFPUWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-12-4-5-14(11-25-12)22(2,3)21(30)26-10-13-8-16(23)19(17(24)9-13)15-6-7-18(28)27-20(15)29/h4-5,8-9,11,15H,6-7,10H2,1-3H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide has a molecular weight of 448.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-methyl-2-(6-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 176846793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).