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

C21H22N4O — CID 135864449

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

7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864449) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 135864449
• Molecular Formula: C21H22N4O
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.18
• IUPAC Name: 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CCc1ccccc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1
• InChI: InChI=1S/C21H22N4O/c1-2-15-6-3-4-7-17(15)13-25-11-9-18-19(14-25)23-20(24-21(18)26)16-8-5-10-22-12-16/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,23,24,26)
• InChIKey: QILJTEHDZKFTBQ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864449) is 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCc1ccccc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1.

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

The InChIKey is QILJTEHDZKFTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-15-6-3-4-7-17(15)13-25-11-9-18-19(14-25)23-20(24-21(18)26)16-8-5-10-22-12-16/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,23,24,26).

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

7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 346.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).