N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C23H19FN4O3 — CID 55930783

About N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 55930783) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
• PubChem CID: 55930783
• Molecular Formula: C23H19FN4O3
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.14
• IUPAC Name: N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)Cc1cccc(F)c1
• InChI: InChI=1S/C23H19FN4O3/c1-15-10-19(31-23-17(13-25)5-3-9-26-23)7-8-20(15)28-22(30)14-27-21(29)12-16-4-2-6-18(24)11-16/h2-11H,12,14H2,1H3,(H,27,29)(H,28,30)
• InChIKey: SAWLGHXFHYVXCZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 104.11 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	418.43
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?

The IUPAC name of N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 55930783) is N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

What is the SMILES notation for N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?

The canonical SMILES for N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)Cc1cccc(F)c1.

What is the InChIKey of N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?

The InChIKey is SAWLGHXFHYVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-15-10-19(31-23-17(13-25)5-3-9-26-23)7-8-20(15)28-22(30)14-27-21(29)12-16-4-2-6-18(24)11-16/h2-11H,12,14H2,1H3,(H,27,29)(H,28,30).

What are the key properties of N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?

N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 418.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 55930783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).