6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H26N6 — CID 24915152

About 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915152) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24915152
• Molecular Formula: C23H26N6
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.22
• IUPAC Name: 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: c1cncc(-c2ncc3c(n2)CCN(Cc2cccnc2N2CCCCC2)C3)c1
• InChI: InChI=1S/C23H26N6/c1-2-11-29(12-3-1)23-19(7-5-10-25-23)16-28-13-8-21-20(17-28)15-26-22(27-21)18-6-4-9-24-14-18/h4-7,9-10,14-15H,1-3,8,11-13,16-17H2
• InChIKey: DPXYFLVNMHDEPV-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 58.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915152) is 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cncc(-c2ncc3c(n2)CCN(Cc2cccnc2N2CCCCC2)C3)c1.

What is the InChIKey of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is DPXYFLVNMHDEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-11-29(12-3-1)23-19(7-5-10-25-23)16-28-13-8-21-20(17-28)15-26-22(27-21)18-6-4-9-24-14-18/h4-7,9-10,14-15H,1-3,8,11-13,16-17H2.

What are the key properties of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 386.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).