N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

C27H28FN5O6 — CID 171342780

About N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 171342780) has the molecular formula C27H28FN5O6 and a molecular weight of 537.55 g/mol. Its IUPAC name is N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
• PubChem CID: 171342780
• Molecular Formula: C27H28FN5O6
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.20
• IUPAC Name: N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
• SMILES: O=C1COc2ccc(C(=O)NC34CCC(CCc5c(F)cnc6ccc(=O)n(CCO)c56)(CC3)OC4)nc2N1
• InChI: InChI=1S/C27H28FN5O6/c28-17-13-29-18-2-4-22(36)33(11-12-34)23(18)16(17)5-6-27-9-7-26(8-10-27,15-39-27)32-25(37)19-1-3-20-24(30-19)31-21(35)14-38-20/h1-4,13,34H,5-12,14-15H2,(H,32,37)(H,30,31,35)
• InChIKey: BMOJHQSYUPNHES-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 144.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?

The IUPAC name of N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 171342780) is N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

What is the SMILES notation for N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?

The canonical SMILES for N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC34CCC(CCc5c(F)cnc6ccc(=O)n(CCO)c56)(CC3)OC4)nc2N1.

What is the InChIKey of N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?

The InChIKey is BMOJHQSYUPNHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O6/c28-17-13-29-18-2-4-22(36)33(11-12-34)23(18)16(17)5-6-27-9-7-26(8-10-27,15-39-27)32-25(37)19-1-3-20-24(30-19)31-21(35)14-38-20/h1-4,13,34H,5-12,14-15H2,(H,32,37)(H,30,31,35).

What are the key properties of N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?

N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[3-fluoro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 171342780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).