2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid

C19H20FN3O5 — CID 119214898

About 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214898) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid
• PubChem CID: 119214898
• Molecular Formula: C19H20FN3O5
• Molecular Weight: 389.38 g/mol
• Exact Mass: 389.14
• IUPAC Name: 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid
• SMILES: Cc1cc(=O)c(C(=O)NC2(CC(=O)O)CCOCC2)nn1-c1ccccc1F
• InChI: InChI=1S/C19H20FN3O5/c1-12-10-15(24)17(22-23(12)14-5-3-2-4-13(14)20)18(27)21-19(11-16(25)26)6-8-28-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,21,27)(H,25,26)
• InChIKey: NPYHQFQBOIYNOK-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 110.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.38
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid?

The IUPAC name of 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid (CID 119214898) is 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid.

What is the SMILES notation for 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid?

The canonical SMILES for 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid is Cc1cc(=O)c(C(=O)NC2(CC(=O)O)CCOCC2)nn1-c1ccccc1F.

What is the InChIKey of 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid?

The InChIKey is NPYHQFQBOIYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-12-10-15(24)17(22-23(12)14-5-3-2-4-13(14)20)18(27)21-19(11-16(25)26)6-8-28-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,21,27)(H,25,26).

What are the key properties of 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid?

2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 389.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).