7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C16H18FN5O4 — CID 67274806

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

7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67274806) has the molecular formula C16H18FN5O4 and a molecular weight of 363.35 g/mol. Its IUPAC name is 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 67274806
• Molecular Formula: C16H18FN5O4
• Molecular Weight: 363.35 g/mol
• Exact Mass: 363.13
• IUPAC Name: 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• SMILES: NC(=O)CCNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1
• InChI: InChI=1S/C16H18FN5O4/c17-11-5-9-13(24)10(16(25)26)6-20-14(9)21-15(11)22-4-2-8(7-22)19-3-1-12(18)23/h5-6,8,19H,1-4,7H2,(H2,18,23)(H,25,26)(H,20,21,24)
• InChIKey: BEOGWHZVEBIDQJ-UHFFFAOYSA-N
• XLogP: -0.20
• TPSA: 141.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.35
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 67274806) is 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is NC(=O)CCNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C1.

What is the InChIKey of 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is BEOGWHZVEBIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O4/c17-11-5-9-13(24)10(16(25)26)6-20-14(9)21-15(11)22-4-2-8(7-22)19-3-1-12(18)23/h5-6,8,19H,1-4,7H2,(H2,18,23)(H,25,26)(H,20,21,24).

What are the key properties of 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67274806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).