7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

C15H19FN4O3 — CID 151497032

IUPAC7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILESCCN1CC(C(=O)O)C(=O)c2cc(F)c(N3CCC(N)C3)nc21
InChIInChI=1S/C15H19FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h5,8,10H,2-4,6-7,17H2,1H3,(H,22,23)
InChIKeyPPPZXPIJGYUVRC-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.48
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 151497032) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
PubChem CID151497032
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILESCCN1CC(C(=O)O)C(=O)c2cc(F)c(N3CCC(N)C3)nc21
InChIInChI=1S/C15H19FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h5,8,10H,2-4,6-7,17H2,1H3,(H,22,23)
InChIKeyPPPZXPIJGYUVRC-UHFFFAOYSA-N
XLogP0.48
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-methylidene-1,8-naphthyridine-3-carboxylic acid
CID 51358243
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-4-oxo-6-propyl-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 146430295
7-[(3S)-3-aminopyrrolidin-1-yl]-1-ethyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrate;hydrochloride
CID 70367935
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11761360
6-fluoro-4-oxo-7-(3-pentanoylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 146344901
7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid
CID 66781301
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
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)-1-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11134455
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 11825886
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 10971631

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (CID 151497032) is 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is CCN1CC(C(=O)O)C(=O)c2cc(F)c(N3CCC(N)C3)nc21.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PPPZXPIJGYUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h5,8,10H,2-4,6-7,17H2,1H3,(H,22,23).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 151497032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).