6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H27ClN6O2S — CID 68898045

About 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 68898045) has the molecular formula C24H27ClN6O2S and a molecular weight of 499.04 g/mol. Its IUPAC name is 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

• Compound Name: 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• PubChem CID: 68898045
• Molecular Formula: C24H27ClN6O2S
• Molecular Weight: 499.04 g/mol
• Exact Mass: 498.16
• IUPAC Name: 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• SMILES: COc1ccc2ncc(Cl)c(N3CCC(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
• InChI: InChI=1S/C24H27ClN6O2S/c1-33-21-5-3-18-22(30-21)23(17(25)13-27-18)31-10-7-15(8-11-31)6-9-26-12-16-2-4-19-24(28-16)29-20(32)14-34-19/h2-5,13,15,26H,6-12,14H2,1H3,(H,28,29,32)
• InChIKey: QDOWOJNARIAMLH-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.04
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The IUPAC name of 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 68898045) is 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

What is the SMILES notation for 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The canonical SMILES for 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc(Cl)c(N3CCC(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.

What is the InChIKey of 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The InChIKey is QDOWOJNARIAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2S/c1-33-21-5-3-18-22(30-21)23(17(25)13-27-18)31-10-7-15(8-11-31)6-9-26-12-16-2-4-19-24(28-16)29-20(32)14-34-19/h2-5,13,15,26H,6-12,14H2,1H3,(H,28,29,32).

What are the key properties of 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 499.04 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[1-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 68898045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).