7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H20FN5O3 — CID 142640329

About 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142640329) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142640329
• Molecular Formula: C17H20FN5O3
• Molecular Weight: 361.38 g/mol
• Exact Mass: 361.16
• IUPAC Name: 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1c(F)c(NN2CCC(N)C2)nc2c1c(=O)c(C(=O)O)cn2C1CC1
• InChI: InChI=1S/C17H20FN5O3/c1-8-12-14(24)11(17(25)26)7-23(10-2-3-10)16(12)20-15(13(8)18)21-22-5-4-9(19)6-22/h7,9-10H,2-6,19H2,1H3,(H,20,21)(H,25,26)
• InChIKey: BPNJRWRICWUEMW-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 113.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.38
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142640329) is 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(NN2CCC(N)C2)nc2c1c(=O)c(C(=O)O)cn2C1CC1.

What is the InChIKey of 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is BPNJRWRICWUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-8-12-14(24)11(17(25)26)7-23(10-2-3-10)16(12)20-15(13(8)18)21-22-5-4-9(19)6-22/h7,9-10H,2-6,19H2,1H3,(H,20,21)(H,25,26).

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

7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-aminopyrrolidin-1-yl)amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).