N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide

C19H19ClF3N3O3 — CID 159050031

About N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide

N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide (PubChem CID 159050031) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide
• PubChem CID: 159050031
• Molecular Formula: C19H19ClF3N3O3
• Molecular Weight: 429.83 g/mol
• Exact Mass: 429.11
• IUPAC Name: N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(C(=O)CC[C@@H](C)Oc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
• InChI: InChI=1S/C19H19ClF3N3O3/c1-10-6-13(7-17(25-10)26-12(3)27)16(28)5-4-11(2)29-18-15(20)8-14(9-24-18)19(21,22)23/h6-9,11H,4-5H2,1-3H3,(H,25,26,27)/t11-/m1/s1
• InChIKey: JXDMGAJQKSGLEZ-LLVKDONJSA-N
• XLogP: 4.85
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.83
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide (CID 159050031) is N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)CC[C@@H](C)Oc2ncc(C(F)(F)F)cc2Cl)cc(C)n1.

What is the InChIKey of N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide?

The InChIKey is JXDMGAJQKSGLEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-10-6-13(7-17(25-10)26-12(3)27)16(28)5-4-11(2)29-18-15(20)8-14(9-24-18)19(21,22)23/h6-9,11H,4-5H2,1-3H3,(H,25,26,27)/t11-/m1/s1.

What are the key properties of N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide?

N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide has a molecular weight of 429.83 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 159050031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).