N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide

C24H19F3N4O3 — CID 59639614

About N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide

N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide (PubChem CID 59639614) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
• PubChem CID: 59639614
• Molecular Formula: C24H19F3N4O3
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.14
• IUPAC Name: N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
• SMILES: CC(=O)NCCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
• InChI: InChI=1S/C24H19F3N4O3/c1-13-12-15(25)6-7-16(13)21-17-8-9-20(33)31(22-18(26)4-3-5-19(22)27)23(17)30-24(29-21)34-11-10-28-14(2)32/h3-9,12H,10-11H2,1-2H3,(H,28,32)
• InChIKey: SCYVRLWRCQRUIR-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?

The IUPAC name of N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide (CID 59639614) is N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide.

What is the SMILES notation for N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?

The canonical SMILES for N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide is CC(=O)NCCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1.

What is the InChIKey of N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?

The InChIKey is SCYVRLWRCQRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-13-12-15(25)6-7-16(13)21-17-8-9-20(33)31(22-18(26)4-3-5-19(22)27)23(17)30-24(29-21)34-11-10-28-14(2)32/h3-9,12H,10-11H2,1-2H3,(H,28,32).

What are the key properties of N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide?

N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide has a molecular weight of 468.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide is sourced from PubChem (CID 59639614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).