2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H27N5O4 — CID 136681515

About 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681515) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136681515
• Molecular Formula: C23H27N5O4
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.21
• IUPAC Name: 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2=O)C1
• InChI: InChI=1S/C23H27N5O4/c29-21-16-8-11-27(22(30)15-5-3-9-24-13-15)14-17(16)25-20(26-21)18-6-1-2-10-28(18)23(31)19-7-4-12-32-19/h3,5,9,13,18-19H,1-2,4,6-8,10-12,14H2,(H,25,26,29)/t18-,19-/m1/s1
• InChIKey: KWNIJNJXZWSJCI-RTBURBONSA-N
• XLogP: 1.60
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681515) is 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2=O)C1.

What is the InChIKey of 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is KWNIJNJXZWSJCI-RTBURBONSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-21-16-8-11-27(22(30)15-5-3-9-24-13-15)14-17(16)25-20(26-21)18-6-1-2-10-28(18)23(31)19-7-4-12-32-19/h3,5,9,13,18-19H,1-2,4,6-8,10-12,14H2,(H,25,26,29)/t18-,19-/m1/s1.

What are the key properties of 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 437.50 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).