7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C19H20FN7O5 — CID 67784060

About 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67784060) has the molecular formula C19H20FN7O5 and a molecular weight of 445.41 g/mol. Its IUPAC name is 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 67784060
• Molecular Formula: C19H20FN7O5
• Molecular Weight: 445.41 g/mol
• Exact Mass: 445.15
• IUPAC Name: 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1nonc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)[C@H](C)N)C3)nc21
• InChI: InChI=1S/C19H20FN7O5/c1-8(21)18(29)22-10-3-4-26(6-10)17-13(20)5-11-14(28)12(19(30)31)7-27(16(11)23-17)15-9(2)24-32-25-15/h5,7-8,10H,3-4,6,21H2,1-2H3,(H,22,29)(H,30,31)/t8-,10?/m0/s1
• InChIKey: RDTCLCPOSIXSHE-PEHGTWAWSA-N
• XLogP: -0.04
• TPSA: 169.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.41
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 67784060) is 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1nonc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)[C@H](C)N)C3)nc21.

What is the InChIKey of 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is RDTCLCPOSIXSHE-PEHGTWAWSA-N. The full InChI is InChI=1S/C19H20FN7O5/c1-8(21)18(29)22-10-3-4-26(6-10)17-13(20)5-11-14(28)12(19(30)31)7-27(16(11)23-17)15-9(2)24-32-25-15/h5,7-8,10H,3-4,6,21H2,1-2H3,(H,22,29)(H,30,31)/t8-,10?/m0/s1.

What are the key properties of 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 445.41 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67784060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).