N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

C20H23F3N4O3 — CID 67510976

About N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 67510976) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
• PubChem CID: 67510976
• Molecular Formula: C20H23F3N4O3
• Molecular Weight: 424.42 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
• SMILES: CCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(CC)c2)cc(C)n1
• InChI: InChI=1S/C20H23F3N4O3/c1-4-14-7-13(10-25-19(14)30-11-20(21,22)23)9-24-18(29)15-6-12(3)26-16(8-15)27-17(28)5-2/h6-8,10H,4-5,9,11H2,1-3H3,(H,24,29)(H,26,27,28)
• InChIKey: YYICIQCRZZOBGD-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.42
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?

The IUPAC name of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (CID 67510976) is N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

What is the SMILES notation for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?

The canonical SMILES for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(CC)c2)cc(C)n1.

What is the InChIKey of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?

The InChIKey is YYICIQCRZZOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-4-14-7-13(10-25-19(14)30-11-20(21,22)23)9-24-18(29)15-6-12(3)26-16(8-15)27-17(28)5-2/h6-8,10H,4-5,9,11H2,1-3H3,(H,24,29)(H,26,27,28).

What are the key properties of N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67510976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).