6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide

About 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide

6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 168871413) has the molecular formula C38H37FN6O5 and a molecular weight of 676.75 g/mol. Its IUPAC name is 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name	6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID	168871413
Molecular Formula	C38H37FN6O5
Molecular Weight	676.75 g/mol
Exact Mass	676.28
IUPAC Name	6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILES	CN(Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O)C1CCN(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1
InChI	InChI=1S/C38H37FN6O5/c1-43(21-24-9-12-28-30(34(24)39)22-45(38(28)49)31-14-16-33(46)42-37(31)48)25-17-19-44(20-18-25)32-15-13-29(36(40)47)35(41-32)23-7-10-27(11-8-23)50-26-5-3-2-4-6-26/h2-13,15,25,31H,14,16-22H2,1H3,(H2,40,47)(H,42,46,48)
InChIKey	DJHMSVKUKSMAQR-UHFFFAOYSA-N
XLogP	4.64
TPSA	138.17 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	676.75
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide?

The IUPAC name of 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 168871413) is 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide is CN(Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O)C1CCN(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.

What is the InChIKey of 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide?

The InChIKey is DJHMSVKUKSMAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN6O5/c1-43(21-24-9-12-28-30(34(24)39)22-45(38(28)49)31-14-16-33(46)42-37(31)48)25-17-19-44(20-18-25)32-15-13-29(36(40)47)35(41-32)23-7-10-27(11-8-23)50-26-5-3-2-4-6-26/h2-13,15,25,31H,14,16-22H2,1H3,(H2,40,47)(H,42,46,48).

What are the key properties of 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide?

6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 676.75 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl-methylamino]piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 168871413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).