7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C16H16ClN5O3S — CID 45260537

About 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45260537) has the molecular formula C16H16ClN5O3S and a molecular weight of 393.86 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 45260537
• Molecular Formula: C16H16ClN5O3S
• Molecular Weight: 393.86 g/mol
• Exact Mass: 393.07
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• SMILES: Cl.NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
• InChI: InChI=1S/C16H15N5O3S.ClH/c17-9-3-5-20(7-9)12-2-1-10-13(22)11(15(23)24)8-21(14(10)19-12)16-18-4-6-25-16;/h1-2,4,6,8-9H,3,5,7,17H2,(H,23,24);1H
• InChIKey: YKXQYYCFNWUZNJ-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 114.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.86
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45260537) is 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The InChIKey is YKXQYYCFNWUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S.ClH/c17-9-3-5-20(7-9)12-2-1-10-13(22)11(15(23)24)8-21(14(10)19-12)16-18-4-6-25-16;/h1-2,4,6,8-9H,3,5,7,17H2,(H,23,24);1H.

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 393.86 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).