6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C29H31N7O4 — CID 122187104

About 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187104) has the molecular formula C29H31N7O4 and a molecular weight of 541.61 g/mol. Its IUPAC name is 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 122187104
• Molecular Formula: C29H31N7O4
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.24
• IUPAC Name: 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(OCc6ccccn6)cc54)CC3)nc2N1
• InChI: InChI=1S/C29H31N7O4/c37-27-19-40-26-6-4-21(33-29(26)34-27)16-31-20-8-11-35(12-9-20)13-14-36-25-15-23(17-32-24(25)5-7-28(36)38)39-18-22-3-1-2-10-30-22/h1-7,10,15,17,20,31H,8-9,11-14,16,18-19H2,(H,33,34,37)
• InChIKey: MNWIDQPCFXVVRZ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.61
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187104) is 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(OCc6ccccn6)cc54)CC3)nc2N1.

What is the InChIKey of 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is MNWIDQPCFXVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O4/c37-27-19-40-26-6-4-21(33-29(26)34-27)16-31-20-8-11-35(12-9-20)13-14-36-25-15-23(17-32-24(25)5-7-28(36)38)39-18-22-3-1-2-10-30-22/h1-7,10,15,17,20,31H,8-9,11-14,16,18-19H2,(H,33,34,37).

What are the key properties of 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 541.61 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-[2-oxo-7-(pyridin-2-ylmethoxy)-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122187104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).