3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile

C20H18N6 — CID 24915507

About 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile

3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile (PubChem CID 24915507) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile
• PubChem CID: 24915507
• Molecular Formula: C20H18N6
• Molecular Weight: 342.41 g/mol
• Exact Mass: 342.16
• IUPAC Name: 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile
• SMILES: N#Cc1cccc(-c2cccc(CN3CCc4nc(N)ncc4C3)n2)c1
• InChI: InChI=1S/C20H18N6/c21-10-14-3-1-4-15(9-14)18-6-2-5-17(24-18)13-26-8-7-19-16(12-26)11-23-20(22)25-19/h1-6,9,11H,7-8,12-13H2,(H2,22,23,25)
• InChIKey: SKTMMNUITBHDSO-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 91.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.41
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile?

The IUPAC name of 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile (CID 24915507) is 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile.

What is the SMILES notation for 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile?

The canonical SMILES for 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cccc(CN3CCc4nc(N)ncc4C3)n2)c1.

What is the InChIKey of 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile?

The InChIKey is SKTMMNUITBHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c21-10-14-3-1-4-15(9-14)18-6-2-5-17(24-18)13-26-8-7-19-16(12-26)11-23-20(22)25-19/h1-6,9,11H,7-8,12-13H2,(H2,22,23,25).

What are the key properties of 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile?

3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile has a molecular weight of 342.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 24915507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).