2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide

C29H33N7O4 — CID 123875847

About 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide

2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide (PubChem CID 123875847) has the molecular formula C29H33N7O4 and a molecular weight of 543.63 g/mol. Its IUPAC name is 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide
• PubChem CID: 123875847
• Molecular Formula: C29H33N7O4
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.26
• IUPAC Name: 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide
• SMILES: COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)(OC)C(N)=O)CC4)c(C)c3)n2)n1
• InChI: InChI=1S/C29H33N7O4/c1-17-13-20(5-6-21(17)18-8-11-36(12-9-18)29(2,40-4)28(30)38)33-26-25-19(7-10-32-27(25)37)14-22(35-26)23-15-31-16-24(34-23)39-3/h5-7,10,13-16,18H,8-9,11-12H2,1-4H3,(H2,30,38)(H,32,37)(H,33,35)
• InChIKey: WCYZSIFSJGIPGQ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 148.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide?

The IUPAC name of 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide (CID 123875847) is 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide.

What is the SMILES notation for 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide?

The canonical SMILES for 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)(OC)C(N)=O)CC4)c(C)c3)n2)n1.

What is the InChIKey of 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide?

The InChIKey is WCYZSIFSJGIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O4/c1-17-13-20(5-6-21(17)18-8-11-36(12-9-18)29(2,40-4)28(30)38)33-26-25-19(7-10-32-27(25)37)14-22(35-26)23-15-31-16-24(34-23)39-3/h5-7,10,13-16,18H,8-9,11-12H2,1-4H3,(H2,30,38)(H,32,37)(H,33,35).

What are the key properties of 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide?

2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide has a molecular weight of 543.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 123875847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).