ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate

C20H20FN5O3 — CID 10862218

About ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 10862218) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
• PubChem CID: 10862218
• Molecular Formula: C20H20FN5O3
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.16
• IUPAC Name: ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(-c2ccccn2)c2nc(N3CCC(N)C3)c(F)cc2c1=O
• InChI: InChI=1S/C20H20FN5O3/c1-2-29-20(28)14-11-26(16-5-3-4-7-23-16)18-13(17(14)27)9-15(21)19(24-18)25-8-6-12(22)10-25/h3-5,7,9,11-12H,2,6,8,10,22H2,1H3
• InChIKey: XZPWZBFZEFHYAY-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 103.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate (CID 10862218) is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccccn2)c2nc(N3CCC(N)C3)c(F)cc2c1=O.

What is the InChIKey of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate?

The InChIKey is XZPWZBFZEFHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-2-29-20(28)14-11-26(16-5-3-4-7-23-16)18-13(17(14)27)9-15(21)19(24-18)25-8-6-12(22)10-25/h3-5,7,9,11-12H,2,6,8,10,22H2,1H3.

What are the key properties of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate?

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 397.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).