3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane

C28H38N6O3 — CID 160939112

About 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane

3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane (PubChem CID 160939112) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane.

Molecular Properties

• Compound Name: 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane
• PubChem CID: 160939112
• Molecular Formula: C28H38N6O3
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.30
• IUPAC Name: 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane
• SMILES: CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCC5(CCOC5)CC4)nc3n2)c1
• InChI: InChI=1S/C23H26N6O2.C5H12O/c1-25-21(30)16-4-2-3-15(13-16)18-6-5-17-19(24)27-22(28-20(17)26-18)29-10-7-23(8-11-29)9-12-31-14-23;1-3-5-6-4-2/h2-6,13H,7-12,14H2,1H3,(H,25,30)(H2,24,26,27,28);3-5H2,1-2H3
• InChIKey: SUGOKYAOPYQSNH-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 115.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane?

The IUPAC name of 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane (CID 160939112) is 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane.

What is the SMILES notation for 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane?

The canonical SMILES for 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane is CCCOCC.CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCC5(CCOC5)CC4)nc3n2)c1.

What is the InChIKey of 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane?

The InChIKey is SUGOKYAOPYQSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C5H12O/c1-25-21(30)16-4-2-3-15(13-16)18-6-5-17-19(24)27-22(28-20(17)26-18)29-10-7-23(8-11-29)9-12-31-14-23;1-3-5-6-4-2/h2-6,13H,7-12,14H2,1H3,(H,25,30)(H2,24,26,27,28);3-5H2,1-2H3.

What are the key properties of 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane?

3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane has a molecular weight of 506.65 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane is sourced from PubChem (CID 160939112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).