phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate

C30H25N5O6 — CID 89105599

About phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate

phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate (PubChem CID 89105599) has the molecular formula C30H25N5O6 and a molecular weight of 551.56 g/mol. Its IUPAC name is phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate.

Molecular Properties

• Compound Name: phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate
• PubChem CID: 89105599
• Molecular Formula: C30H25N5O6
• Molecular Weight: 551.56 g/mol
• Exact Mass: 551.18
• IUPAC Name: phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate
• SMILES: CCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1C(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
• InChI: InChI=1S/C30H25N5O6/c1-2-39-29-27(23(31)15-26(35-29)33-19-10-8-18(9-11-19)25-16-32-17-40-25)28(37)34-20-12-13-22(24(36)14-20)30(38)41-21-6-4-3-5-7-21/h3-17,36H,2H2,1H3,(H,34,37)(H3,31,33,35)
• InChIKey: RIAPWEXMQCTAMB-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 161.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.56
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate?

The IUPAC name of phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate (CID 89105599) is phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate.

What is the SMILES notation for phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate?

The canonical SMILES for phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate is CCOc1nc(Nc2ccc(-c3cnco3)cc2)cc(N)c1C(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1.

What is the InChIKey of phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate?

The InChIKey is RIAPWEXMQCTAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O6/c1-2-39-29-27(23(31)15-26(35-29)33-19-10-8-18(9-11-19)25-16-32-17-40-25)28(37)34-20-12-13-22(24(36)14-20)30(38)41-21-6-4-3-5-7-21/h3-17,36H,2H2,1H3,(H,34,37)(H3,31,33,35).

What are the key properties of phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate?

phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate has a molecular weight of 551.56 g/mol, XLogP of 5.64, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl 4-[[4-amino-2-ethoxy-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 89105599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).