7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H25FN4O3 — CID 20792060

About 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20792060) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 20792060
• Molecular Formula: C20H25FN4O3
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.19
• IUPAC Name: 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CC[C@@H]1[C@H](N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1C
• InChI: InChI=1S/C20H25FN4O3/c1-3-12-10(2)7-24(9-16(12)22)19-15(21)6-13-17(26)14(20(27)28)8-25(11-4-5-11)18(13)23-19/h6,8,10-12,16H,3-5,7,9,22H2,1-2H3,(H,27,28)/t10-,12-,16+/m0/s1
• InChIKey: HNEMYWIMXREPFB-KNHMANMVSA-N
• XLogP: 2.38
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.44
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 20792060) is 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC[C@@H]1[C@H](N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1C.

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

The InChIKey is HNEMYWIMXREPFB-KNHMANMVSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-3-12-10(2)7-24(9-16(12)22)19-15(21)6-13-17(26)14(20(27)28)8-25(11-4-5-11)18(13)23-19/h6,8,10-12,16H,3-5,7,9,22H2,1-2H3,(H,27,28)/t10-,12-,16+/m0/s1.

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

7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 388.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20792060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).