N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide

C27H23F3N4O5 — CID 15952184

About N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide

N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 15952184) has the molecular formula C27H23F3N4O5 and a molecular weight of 540.50 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide
• PubChem CID: 15952184
• Molecular Formula: C27H23F3N4O5
• Molecular Weight: 540.50 g/mol
• Exact Mass: 540.16
• IUPAC Name: N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)NC2CCC(n3c(=O)c4cc(F)cnc4n(-c4ccc(F)c(F)c4)c3=O)CC2)c(O)c1
• InChI: InChI=1S/C27H23F3N4O5/c1-39-18-7-8-19(23(35)12-18)25(36)32-15-2-4-16(5-3-15)34-26(37)20-10-14(28)13-31-24(20)33(27(34)38)17-6-9-21(29)22(30)11-17/h6-13,15-16,35H,2-5H2,1H3,(H,32,36)
• InChIKey: UFIAMXQHEYZVCE-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 115.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide?

The IUPAC name of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide (CID 15952184) is N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide.

What is the SMILES notation for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide?

The canonical SMILES for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(n3c(=O)c4cc(F)cnc4n(-c4ccc(F)c(F)c4)c3=O)CC2)c(O)c1.

What is the InChIKey of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide?

The InChIKey is UFIAMXQHEYZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O5/c1-39-18-7-8-19(23(35)12-18)25(36)32-15-2-4-16(5-3-15)34-26(37)20-10-14(28)13-31-24(20)33(27(34)38)17-6-9-21(29)22(30)11-17/h6-13,15-16,35H,2-5H2,1H3,(H,32,36).

What are the key properties of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide?

N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 540.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 15952184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).