N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C22H23FN6O3 — CID 170208164

About N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 170208164) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
• PubChem CID: 170208164
• Molecular Formula: C22H23FN6O3
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.18
• IUPAC Name: N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
• SMILES: CN(CC(=O)Nc1ccc(F)nc1)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2
• InChI: InChI=1S/C22H23FN6O3/c1-29(13-20(31)26-14-5-6-19(23)25-12-14)22-16-3-2-4-17(16)27-21(28-22)18-11-15(7-8-24-18)32-10-9-30/h5-8,11-12,30H,2-4,9-10,13H2,1H3,(H,26,31)
• InChIKey: WTPWDDOZSPPRTA-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 113.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The IUPAC name of N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 170208164) is N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)nc1)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2.

What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The InChIKey is WTPWDDOZSPPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-29(13-20(31)26-14-5-6-19(23)25-12-14)22-16-3-2-4-17(16)27-21(28-22)18-11-15(7-8-24-18)32-10-9-30/h5-8,11-12,30H,2-4,9-10,13H2,1H3,(H,26,31).

What are the key properties of N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 438.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 170208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).