2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C19H19F5N4O3 — CID 87427220

About 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 87427220) has the molecular formula C19H19F5N4O3 and a molecular weight of 446.38 g/mol. Its IUPAC name is 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 87427220
• Molecular Formula: C19H19F5N4O3
• Molecular Weight: 446.38 g/mol
• Exact Mass: 446.14
• IUPAC Name: 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• SMILES: CC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)C(F)(F)F)nc2)cc(C)n1
• InChI: InChI=1S/C19H19F5N4O3/c1-10-6-14(7-15(26-10)28-12(3)29)17(30)27-11(2)13-4-5-16(25-8-13)31-9-18(20,21)19(22,23)24/h4-8,11H,9H2,1-3H3,(H,27,30)(H,26,28,29)
• InChIKey: ROLIVGLFHGLUOU-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.38
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 87427220) is 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

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

The canonical SMILES for 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)C(F)(F)F)nc2)cc(C)n1.

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

The InChIKey is ROLIVGLFHGLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4O3/c1-10-6-14(7-15(26-10)28-12(3)29)17(30)27-11(2)13-4-5-16(25-8-13)31-9-18(20,21)19(22,23)24/h4-8,11H,9H2,1-3H3,(H,27,30)(H,26,28,29).

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

2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 87427220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).