2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C29H23FN6O6 — CID 134134169

About 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 134134169) has the molecular formula C29H23FN6O6 and a molecular weight of 570.54 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• PubChem CID: 134134169
• Molecular Formula: C29H23FN6O6
• Molecular Weight: 570.54 g/mol
• Exact Mass: 570.17
• IUPAC Name: 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
• SMILES: COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccncc4-c4cccnc4)c(F)c3)c(=O)n(C)c2=O)c(OC)c1
• InChI: InChI=1S/C29H23FN6O6/c1-35-28(38)26(34-36(29(35)39)22-8-7-19(40-2)14-25(22)41-3)27(37)33-18-6-9-24(21(30)13-18)42-23-10-12-32-16-20(23)17-5-4-11-31-15-17/h4-16H,1-3H3,(H,33,37)
• InChIKey: YFWJDVPXKMLUHB-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 139.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.54
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 134134169) is 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccncc4-c4cccnc4)c(F)c3)c(=O)n(C)c2=O)c(OC)c1.

What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The InChIKey is YFWJDVPXKMLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O6/c1-35-28(38)26(34-36(29(35)39)22-8-7-19(40-2)14-25(22)41-3)27(37)33-18-6-9-24(21(30)13-18)42-23-10-12-32-16-20(23)17-5-4-11-31-15-17/h4-16H,1-3H3,(H,33,37).

What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?

2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 570.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxyphenyl)-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 134134169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).