2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C28H32N6O4 — CID 46892592

About 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 46892592) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 46892592
• Molecular Formula: C28H32N6O4
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.25
• IUPAC Name: 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
• SMILES: COc1cc(CN(C)C)cc(-c2cnc3nc(-c4cccc(OC)n4)n(CC(=O)NC(C)C)c(=O)c3c2)c1
• InChI: InChI=1S/C28H32N6O4/c1-17(2)30-24(35)16-34-27(23-8-7-9-25(31-23)38-6)32-26-22(28(34)36)13-20(14-29-26)19-10-18(15-33(3)4)11-21(12-19)37-5/h7-14,17H,15-16H2,1-6H3,(H,30,35)
• InChIKey: WNJKNHPEKQOYPV-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 46892592) is 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is COc1cc(CN(C)C)cc(-c2cnc3nc(-c4cccc(OC)n4)n(CC(=O)NC(C)C)c(=O)c3c2)c1.

What is the InChIKey of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?

The InChIKey is WNJKNHPEKQOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c1-17(2)30-24(35)16-34-27(23-8-7-9-25(31-23)38-6)32-26-22(28(34)36)13-20(14-29-26)19-10-18(15-33(3)4)11-21(12-19)37-5/h7-14,17H,15-16H2,1-6H3,(H,30,35).

What are the key properties of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?

2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 516.60 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 46892592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).