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

C15H16N4O4 — CID 67275600

IUPAC6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)c1cc2c(=O)c(C(=O)O)c[nH]c2nc1N1CCC(N)C1
InChIInChI=1S/C15H16N4O4/c1-7(20)9-4-10-12(21)11(15(22)23)5-17-13(10)18-14(9)19-3-2-8(16)6-19/h4-5,8H,2-3,6,16H2,1H3,(H,22,23)(H,17,18,21)
InChIKeyAGYYIYJVNQZCQJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.36
Rot. Bonds3

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

6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67275600) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID67275600
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESCC(=O)c1cc2c(=O)c(C(=O)O)c[nH]c2nc1N1CCC(N)C1
InChIInChI=1S/C15H16N4O4/c1-7(20)9-4-10-12(21)11(15(22)23)5-17-13(10)18-14(9)19-3-2-8(16)6-19/h4-5,8H,2-3,6,16H2,1H3,(H,22,23)(H,17,18,21)
InChIKeyAGYYIYJVNQZCQJ-UHFFFAOYSA-N
XLogP0.36
TPSA129.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-(3-aminopyrrolidin-1-yl)-5,6-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10266901
7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 102504450
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-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10062174
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 67274860
7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 46917304
7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 146345517
7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23276747
7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 54271919

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 67275600) is 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is CC(=O)c1cc2c(=O)c(C(=O)O)c[nH]c2nc1N1CCC(N)C1.
What is the InChIKey of 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is AGYYIYJVNQZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-7(20)9-4-10-12(21)11(15(22)23)5-17-13(10)18-14(9)19-3-2-8(16)6-19/h4-5,8H,2-3,6,16H2,1H3,(H,22,23)(H,17,18,21).
What are the key properties of 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67275600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).