7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C13H13FN4O3 — CID 11779080

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1
InChIInChI=1S/C13H13FN4O3/c14-9-3-7-10(19)8(13(20)21)4-16-11(7)17-12(9)18-2-1-6(15)5-18/h3-4,6H,1-2,5,15H2,(H,20,21)(H,16,17,19)
InChIKeyZAELQUXMZXEZTC-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.30
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11779080) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID11779080
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1
InChIInChI=1S/C13H13FN4O3/c14-9-3-7-10(19)8(13(20)21)4-16-11(7)17-12(9)18-2-1-6(15)5-18/h3-4,6H,1-2,5,15H2,(H,20,21)(H,16,17,19)
InChIKeyZAELQUXMZXEZTC-UHFFFAOYSA-N
XLogP0.30
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 11779080) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is NC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZAELQUXMZXEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-9-3-7-10(19)8(13(20)21)4-16-11(7)17-12(9)18-2-1-6(15)5-18/h3-4,6H,1-2,5,15H2,(H,20,21)(H,16,17,19).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11779080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).