N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide

C23H18Cl2N6O2 — CID 58587888

About N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide

N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide (PubChem CID 58587888) has the molecular formula C23H18Cl2N6O2 and a molecular weight of 481.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
• PubChem CID: 58587888
• Molecular Formula: C23H18Cl2N6O2
• Molecular Weight: 481.34 g/mol
• Exact Mass: 480.09
• IUPAC Name: N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
• SMILES: CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)n1
• InChI: InChI=1S/C23H18Cl2N6O2/c1-13-5-6-14(21(32)30-17-10-15(24)9-16(25)11-17)8-19(13)33-22-18(4-3-7-27-22)20-28-12-29-23(26-2)31-20/h3-12H,1-2H3,(H,30,32)(H,26,28,29,31)
• InChIKey: UJXQCPZBBPOUCO-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.34
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide?

The IUPAC name of N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide (CID 58587888) is N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide.

What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide?

The canonical SMILES for N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide is CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)n1.

What is the InChIKey of N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide?

The InChIKey is UJXQCPZBBPOUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O2/c1-13-5-6-14(21(32)30-17-10-15(24)9-16(25)11-17)8-19(13)33-22-18(4-3-7-27-22)20-28-12-29-23(26-2)31-20/h3-12H,1-2H3,(H,30,32)(H,26,28,29,31).

What are the key properties of N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide?

N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide has a molecular weight of 481.34 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58587888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).