2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide

C27H28N8O6 — CID 162704892

About 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 162704892) has the molecular formula C27H28N8O6 and a molecular weight of 560.57 g/mol. Its IUPAC name is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide
• PubChem CID: 162704892
• Molecular Formula: C27H28N8O6
• Molecular Weight: 560.57 g/mol
• Exact Mass: 560.21
• IUPAC Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(OCCOc4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C27H28N8O6/c1-15-20-14-29-26(33-23(20)35(18-5-3-4-6-18)25(38)22(15)16(2)36)32-21-8-7-19(13-28-21)40-9-10-41-27-30-11-17(12-31-27)24(37)34-39/h7-8,11-14,18,39H,3-6,9-10H2,1-2H3,(H,34,37)(H,28,29,32,33)
• InChIKey: SCMLRICHDUNKQI-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 183.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.57
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide (CID 162704892) is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide.

What is the SMILES notation for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The canonical SMILES for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide is CC(=O)c1c(C)c2cnc(Nc3ccc(OCCOc4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The InChIKey is SCMLRICHDUNKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O6/c1-15-20-14-29-26(33-23(20)35(18-5-3-4-6-18)25(38)22(15)16(2)36)32-21-8-7-19(13-28-21)40-9-10-41-27-30-11-17(12-31-27)24(37)34-39/h7-8,11-14,18,39H,3-6,9-10H2,1-2H3,(H,34,37)(H,28,29,32,33).

What are the key properties of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 560.57 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]oxy]ethoxy]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 162704892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).