N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide

C21H26N6O4 — CID 50924433

About N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide

N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide (PubChem CID 50924433) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
• PubChem CID: 50924433
• Molecular Formula: C21H26N6O4
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.20
• IUPAC Name: N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
• SMILES: COCC(=O)NCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
• InChI: InChI=1S/C21H26N6O4/c1-21(2,30)16-6-5-13(10-24-16)14-9-15-18(20(29)27(3)12-25-15)19(26-14)23-8-7-22-17(28)11-31-4/h5-6,9-10,12,30H,7-8,11H2,1-4H3,(H,22,28)(H,23,26)
• InChIKey: PCYLCWNZQIOMFL-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide?

The IUPAC name of N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide (CID 50924433) is N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide.

What is the SMILES notation for N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide?

The canonical SMILES for N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide is COCC(=O)NCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.

What is the InChIKey of N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide?

The InChIKey is PCYLCWNZQIOMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-21(2,30)16-6-5-13(10-24-16)14-9-15-18(20(29)27(3)12-25-15)19(26-14)23-8-7-22-17(28)11-31-4/h5-6,9-10,12,30H,7-8,11H2,1-4H3,(H,22,28)(H,23,26).

What are the key properties of N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide?

N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide has a molecular weight of 426.48 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 50924433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).