4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C21H17FN2O3 — CID 168586557

About 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586557) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 168586557
• Molecular Formula: C21H17FN2O3
• Molecular Weight: 364.38 g/mol
• Exact Mass: 364.12
• IUPAC Name: 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: COc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1COc1ccccc1F
• InChI: InChI=1S/C21H17FN2O3/c1-13-9-16(17(11-23)21(25)24-13)14-7-8-19(26-2)15(10-14)12-27-20-6-4-3-5-18(20)22/h3-10H,12H2,1-2H3,(H,24,25)
• InChIKey: ZSWVVBXFYAXNFK-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.38
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586557) is 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1COc1ccccc1F.

What is the InChIKey of 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is ZSWVVBXFYAXNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-13-9-16(17(11-23)21(25)24-13)14-7-8-19(26-2)15(10-14)12-27-20-6-4-3-5-18(20)22/h3-10H,12H2,1-2H3,(H,24,25).

What are the key properties of 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?

4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 364.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).