2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide

C20H23F3N4O3 — CID 67508940

About 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide

2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 67508940) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
• PubChem CID: 67508940
• Molecular Formula: C20H23F3N4O3
• Molecular Weight: 424.42 g/mol
• Exact Mass: 424.17
• IUPAC Name: 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide
• SMILES: CCC(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(C)c2)cc(C)n1
• InChI: InChI=1S/C20H23F3N4O3/c1-5-17(28)27-16-8-14(7-12(3)25-16)18(29)26-13(4)15-6-11(2)19(24-9-15)30-10-20(21,22)23/h6-9,13H,5,10H2,1-4H3,(H,26,29)(H,25,27,28)
• InChIKey: WSDJCKTWYWQSGK-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.42
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide?

The IUPAC name of 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide (CID 67508940) is 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(C)c2)cc(C)n1.

What is the InChIKey of 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide?

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

What are the key properties of 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide?

2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67508940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).