6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H26N4O3 — CID 136707329

About 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136707329) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136707329
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCOCc1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OC
• InChI: InChI=1S/C23H26N4O3/c1-3-30-15-17-12-16(7-8-21(17)29-2)13-27-11-9-19-18(14-27)23(28)26-22(25-19)20-6-4-5-10-24-20/h4-8,10,12H,3,9,11,13-15H2,1-2H3,(H,25,26,28)
• InChIKey: LLGIMCALWUIUIN-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136707329) is 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCOCc1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OC.

What is the InChIKey of 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is LLGIMCALWUIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-15-17-12-16(7-8-21(17)29-2)13-27-11-9-19-18(14-27)23(28)26-22(25-19)20-6-4-5-10-24-20/h4-8,10,12H,3,9,11,13-15H2,1-2H3,(H,25,26,28).

What are the key properties of 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136707329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).