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

C26H18F2N4O4 — CID 25218740

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

N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 25218740) has the molecular formula C26H18F2N4O4 and a molecular weight of 488.45 g/mol. Its IUPAC name is N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 25218740
• Molecular Formula: C26H18F2N4O4
• Molecular Weight: 488.45 g/mol
• Exact Mass: 488.13
• IUPAC Name: N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCO
• InChI: InChI=1S/C26H18F2N4O4/c27-16-5-8-18(9-6-16)32-13-1-3-20(26(32)35)25(34)31-17-7-10-23(21(28)15-17)36-22-11-12-30-24(29)19(22)4-2-14-33/h1,3,5-13,15,33H,14H2,(H2,29,30)(H,31,34)
• InChIKey: YGIKASJZAAKZHE-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 119.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.45
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 25218740) is N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCO.

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

The InChIKey is YGIKASJZAAKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O4/c27-16-5-8-18(9-6-16)32-13-1-3-20(26(32)35)25(34)31-17-7-10-23(21(28)15-17)36-22-11-12-30-24(29)19(22)4-2-14-33/h1,3,5-13,15,33H,14H2,(H2,29,30)(H,31,34).

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

N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 488.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-amino-3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 25218740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).