5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

About 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide

5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (PubChem CID 178131774) has the molecular formula C26H28F2N6O3 and a molecular weight of 510.55 g/mol. Its IUPAC name is 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name	5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
PubChem CID	178131774
Molecular Formula	C26H28F2N6O3
Molecular Weight	510.55 g/mol
Exact Mass	510.22
IUPAC Name	5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide
SMILES	CCc1nc2c(F)cc(CN3CCC(c4ccc(C(=O)NN5CCCC5=O)nc4F)CC3)cc2[nH]c1=O
InChI	InChI=1S/C26H28F2N6O3/c1-2-19-25(36)31-21-13-15(12-18(27)23(21)29-19)14-33-10-7-16(8-11-33)17-5-6-20(30-24(17)28)26(37)32-34-9-3-4-22(34)35/h5-6,12-13,16H,2-4,7-11,14H2,1H3,(H,31,36)(H,32,37)
InChIKey	GUWJDWGQZMPLMT-UHFFFAOYSA-N
XLogP	2.81
TPSA	111.29 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?

The IUPAC name of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (CID 178131774) is 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is CCc1nc2c(F)cc(CN3CCC(c4ccc(C(=O)NN5CCCC5=O)nc4F)CC3)cc2[nH]c1=O.

What is the InChIKey of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?

The InChIKey is GUWJDWGQZMPLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3/c1-2-19-25(36)31-21-13-15(12-18(27)23(21)29-19)14-33-10-7-16(8-11-33)17-5-6-20(30-24(17)28)26(37)32-34-9-3-4-22(34)35/h5-6,12-13,16H,2-4,7-11,14H2,1H3,(H,31,36)(H,32,37).

What are the key properties of 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide?

5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperidin-4-yl]-6-fluoro-N-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 178131774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).