6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H20N4O — CID 135916495

About 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135916495) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135916495
• Molecular Formula: C23H20N4O
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.16
• IUPAC Name: 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1cccc3ccccc13)CC2
• InChI: InChI=1S/C23H20N4O/c28-23-20-15-27(14-18-7-3-6-16-5-1-2-9-19(16)18)12-10-21(20)25-22(26-23)17-8-4-11-24-13-17/h1-9,11,13H,10,12,14-15H2,(H,25,26,28)
• InChIKey: SWDDPTVXIAGXCD-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135916495) is 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1cccc3ccccc13)CC2.

What is the InChIKey of 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is SWDDPTVXIAGXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23-20-15-27(14-18-7-3-6-16-5-1-2-9-19(16)18)12-10-21(20)25-22(26-23)17-8-4-11-24-13-17/h1-9,11,13H,10,12,14-15H2,(H,25,26,28).

What are the key properties of 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 368.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135916495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).