N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide

C₂₈H₂₂FN₉O₄ — CID 123145935

About N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide

N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide (PubChem CID 123145935) has the molecular formula C₂₈H₂₂FN₉O₄ and a molecular weight of 567.54 g/mol. Its IUPAC name is N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
• PubChem CID: 123145935
• Molecular Formula: C₂₈H₂₂FN₉O₄
• Molecular Weight: 567.54 g/mol
• Exact Mass: 567.18
• IUPAC Name: N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
• SMILES: Cc1cc(Oc2cncnc2)cc(C(=O)NCCc2cc(Oc3cncnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1
• InChI: InChI=1S/C28H22FN9O4/c1-17-7-19(41-21-11-30-15-31-12-21)9-23(35-17)27(39)34-6-5-18-8-20(42-22-13-32-16-33-14-22)10-24(36-18)28(40)38-26-4-2-3-25(29)37-26/h2-4,7-16H,5-6H2,1H3,(H,34,39)(H,37,38,40)
• InChIKey: ZUQDYLOUTSBXEA-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 166.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?

The IUPAC name of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide (CID 123145935) is N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide.

What is the SMILES notation for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?

The canonical SMILES for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide is Cc1cc(Oc2cncnc2)cc(C(=O)NCCc2cc(Oc3cncnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1.

What is the InChIKey of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?

The InChIKey is ZUQDYLOUTSBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN9O4/c1-17-7-19(41-21-11-30-15-31-12-21)9-23(35-17)27(39)34-6-5-18-8-20(42-22-13-32-16-33-14-22)10-24(36-18)28(40)38-26-4-2-3-25(29)37-26/h2-4,7-16H,5-6H2,1H3,(H,34,39)(H,37,38,40).

What are the key properties of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?

N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide has a molecular weight of 567.54 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide is sourced from PubChem (CID 123145935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123145935 — identifiers, structure, computed properties (public domain)

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