N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide

C21H17Cl2F2N5O5 — CID 159478614

About N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide

N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide (PubChem CID 159478614) has the molecular formula C21H17Cl2F2N5O5 and a molecular weight of 528.30 g/mol. Its IUPAC name is N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide
• PubChem CID: 159478614
• Molecular Formula: C21H17Cl2F2N5O5
• Molecular Weight: 528.30 g/mol
• Exact Mass: 527.06
• IUPAC Name: N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide
• SMILES: COc1cnc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)cc1C(=O)NC1CCC1
• InChI: InChI=1S/C21H17Cl2F2N5O5/c1-34-14-8-26-15(7-11(14)19(31)27-9-3-2-4-9)35-17-12(22)5-10(6-13(17)23)30-21(33)28-20(32)16(29-30)18(24)25/h5-9,18H,2-4H2,1H3,(H,27,31)(H,28,32,33)
• InChIKey: YGORAQJRYKHRCI-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 128.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.30
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide?

The IUPAC name of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide (CID 159478614) is N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide.

What is the SMILES notation for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide?

The canonical SMILES for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide is COc1cnc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)cc1C(=O)NC1CCC1.

What is the InChIKey of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide?

The InChIKey is YGORAQJRYKHRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F2N5O5/c1-34-14-8-26-15(7-11(14)19(31)27-9-3-2-4-9)35-17-12(22)5-10(6-13(17)23)30-21(33)28-20(32)16(29-30)18(24)25/h5-9,18H,2-4H2,1H3,(H,27,31)(H,28,32,33).

What are the key properties of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide?

N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide has a molecular weight of 528.30 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide is sourced from PubChem (CID 159478614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).