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

C13H13FN4O3 — CID 10017205

IUPAC7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@@H]1CCN(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)/t6-/m1/s1
InChIKeyZAELQUXMZXEZTC-ZCFIWIBFSA-N
MW292.27 g/mol
LogP0.30
Rot. Bonds2

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

7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10017205) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID10017205
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@@H]1CCN(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)/t6-/m1/s1
InChIKeyZAELQUXMZXEZTC-ZCFIWIBFSA-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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Related Compounds

7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 102504450
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67274806
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10266901
ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 67274860
7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 146345517
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70285331
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 10971631
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11761360
7-(3-aminopyrrolidin-1-yl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11134455
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 87098565

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 10017205) is 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is N[C@@H]1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1.
What is the InChIKey of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZAELQUXMZXEZTC-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-[(3R)-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-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10017205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).