N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C30H20F2N6O3 — CID 155534156

About N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 155534156) has the molecular formula C30H20F2N6O3 and a molecular weight of 550.53 g/mol. Its IUPAC name is N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 155534156
• Molecular Formula: C30H20F2N6O3
• Molecular Weight: 550.53 g/mol
• Exact Mass: 550.16
• IUPAC Name: N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: Nc1ccc(C#Cc2c(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2N)nc1
• InChI: InChI=1S/C30H20F2N6O3/c31-18-3-9-22(10-4-18)38-15-1-2-24(30(38)40)29(39)37-21-8-12-27(25(32)16-21)41-26-13-14-35-28(34)23(26)11-7-20-6-5-19(33)17-36-20/h1-6,8-10,12-17H,33H2,(H2,34,35)(H,37,39)
• InChIKey: OJUQYRUOIGTYSD-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 138.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.53
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 155534156) is N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Nc1ccc(C#Cc2c(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)ccnc2N)nc1.

What is the InChIKey of N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is OJUQYRUOIGTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2N6O3/c31-18-3-9-22(10-4-18)38-15-1-2-24(30(38)40)29(39)37-21-8-12-27(25(32)16-21)41-26-13-14-35-28(34)23(26)11-7-20-6-5-19(33)17-36-20/h1-6,8-10,12-17H,33H2,(H2,34,35)(H,37,39).

What are the key properties of N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 550.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-amino-3-[2-(5-amino-2-pyridinyl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 155534156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).