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

C18H19F3N4O4 — CID 67509804

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

2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 67509804) has the molecular formula C18H19F3N4O4 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 67509804
• Molecular Formula: C18H19F3N4O4
• Molecular Weight: 412.37 g/mol
• Exact Mass: 412.14
• IUPAC Name: 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• SMILES: COc1cc(C(C)NC(=O)c2ccnc(NC(C)=O)c2)cnc1OCC(F)(F)F
• InChI: InChI=1S/C18H19F3N4O4/c1-10(24-16(27)12-4-5-22-15(7-12)25-11(2)26)13-6-14(28-3)17(23-8-13)29-9-18(19,20)21/h4-8,10H,9H2,1-3H3,(H,24,27)(H,22,25,26)
• InChIKey: LUZPTMZQLAATES-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 102.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.37
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 67509804) is 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

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

The canonical SMILES for 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is COc1cc(C(C)NC(=O)c2ccnc(NC(C)=O)c2)cnc1OCC(F)(F)F.

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

The InChIKey is LUZPTMZQLAATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4/c1-10(24-16(27)12-4-5-22-15(7-12)25-11(2)26)13-6-14(28-3)17(23-8-13)29-9-18(19,20)21/h4-8,10H,9H2,1-3H3,(H,24,27)(H,22,25,26).

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

2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).