2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C20H20N4O6 — CID 73051912

About 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73051912) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
• PubChem CID: 73051912
• Molecular Formula: C20H20N4O6
• Molecular Weight: 412.40 g/mol
• Exact Mass: 412.14
• IUPAC Name: 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
• SMILES: Cc1ccc(Oc2cnc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1
• InChI: InChI=1S/C20H20N4O6/c1-12-2-4-14(5-3-12)30-16-9-21-13(8-22-16)11-24-7-6-15(25)18(20(24)29)19(28)23-10-17(26)27/h2-5,8-9,25H,6-7,10-11H2,1H3,(H,23,28)(H,26,27)
• InChIKey: HIJVYCOTSHPXAU-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 141.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.40
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73051912) is 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is Cc1ccc(Oc2cnc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1.

What is the InChIKey of 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?

The InChIKey is HIJVYCOTSHPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-12-2-4-14(5-3-12)30-16-9-21-13(8-22-16)11-24-7-6-15(25)18(20(24)29)19(28)23-10-17(26)27/h2-5,8-9,25H,6-7,10-11H2,1H3,(H,23,28)(H,26,27).

What are the key properties of 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?

2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 412.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73051912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).