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

C23H25N3O6 — CID 73051750

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

2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73051750) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
• PubChem CID: 73051750
• Molecular Formula: C23H25N3O6
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.17
• IUPAC Name: 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
• SMILES: CCCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1
• InChI: InChI=1S/C23H25N3O6/c1-2-3-15-4-7-17(8-5-15)32-19-9-6-16(12-24-19)14-26-11-10-18(27)21(23(26)31)22(30)25-13-20(28)29/h4-9,12,27H,2-3,10-11,13-14H2,1H3,(H,25,30)(H,28,29)
• InChIKey: CZSGNIWSDGUFPP-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 129.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73051750) is 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

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

The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is CCCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1.

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

The InChIKey is CZSGNIWSDGUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-2-3-15-4-7-17(8-5-15)32-19-9-6-16(12-24-19)14-26-11-10-18(27)21(23(26)31)22(30)25-13-20(28)29/h4-9,12,27H,2-3,10-11,13-14H2,1H3,(H,25,30)(H,28,29).

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

2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 439.47 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-hydroxy-6-oxo-1-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73051750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).