N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide

C15H11ClF3N5O3 — CID 39020331

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 39020331) has the molecular formula C15H11ClF3N5O3 and a molecular weight of 401.73 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
• PubChem CID: 39020331
• Molecular Formula: C15H11ClF3N5O3
• Molecular Weight: 401.73 g/mol
• Exact Mass: 401.05
• IUPAC Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
• SMILES: CCn1cc(C#N)c(=O)n(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1=O
• InChI: InChI=1S/C15H11ClF3N5O3/c1-2-23-6-8(4-20)13(26)24(14(23)27)7-11(25)22-12-10(16)3-9(5-21-12)15(17,18)19/h3,5-6H,2,7H2,1H3,(H,21,22,25)
• InChIKey: UQMGMUBLIFCDKF-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 109.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.73
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?

The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 39020331) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide.

What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?

The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1=O.

What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?

The InChIKey is UQMGMUBLIFCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O3/c1-2-23-6-8(4-20)13(26)24(14(23)27)7-11(25)22-12-10(16)3-9(5-21-12)15(17,18)19/h3,5-6H,2,7H2,1H3,(H,21,22,25).

What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 401.73 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39020331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).