7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C19H21ClN6O4S — CID 70198540

About 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 70198540) has the molecular formula C19H21ClN6O4S and a molecular weight of 464.94 g/mol. Its IUPAC name is 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 70198540
• Molecular Formula: C19H21ClN6O4S
• Molecular Weight: 464.94 g/mol
• Exact Mass: 464.10
• IUPAC Name: 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• SMILES: C[C@@H](N)C(=O)NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1.Cl
• InChI: InChI=1S/C19H20N6O4S.ClH/c1-10(20)17(27)22-11-4-6-24(8-11)14-3-2-12-15(26)13(18(28)29)9-25(16(12)23-14)19-21-5-7-30-19;/h2-3,5,7,9-11H,4,6,8,20H2,1H3,(H,22,27)(H,28,29);1H/t10-,11?;/m1./s1
• InChIKey: SJUJWKXBLFYKNS-QUUNXCOLSA-N
• XLogP: 1.00
• TPSA: 143.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.94
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 70198540) is 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-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-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is C[C@@H](N)C(=O)NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1.Cl.

What is the InChIKey of 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The InChIKey is SJUJWKXBLFYKNS-QUUNXCOLSA-N. The full InChI is InChI=1S/C19H20N6O4S.ClH/c1-10(20)17(27)22-11-4-6-24(8-11)14-3-2-12-15(26)13(18(28)29)9-25(16(12)23-14)19-21-5-7-30-19;/h2-3,5,7,9-11H,4,6,8,20H2,1H3,(H,22,27)(H,28,29);1H/t10-,11?;/m1./s1.

What are the key properties of 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 464.94 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70198540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).