N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide

C31H26FN7O4 — CID 123742178

About N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide

N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide (PubChem CID 123742178) has the molecular formula C31H26FN7O4 and a molecular weight of 579.59 g/mol. Its IUPAC name is N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide
• PubChem CID: 123742178
• Molecular Formula: C31H26FN7O4
• Molecular Weight: 579.59 g/mol
• Exact Mass: 579.20
• IUPAC Name: N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide
• SMILES: Cc1cc(Oc2cccnc2)cc(C(=O)NC(C)Cc2cc(Oc3cccnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1
• InChI: InChI=1S/C31H26FN7O4/c1-19(36-30(40)26-15-24(13-20(2)35-26)42-22-6-4-10-33-17-22)12-21-14-25(43-23-7-5-11-34-18-23)16-27(37-21)31(41)39-29-9-3-8-28(32)38-29/h3-11,13-19H,12H2,1-2H3,(H,36,40)(H,38,39,41)
• InChIKey: ZIYRXJFFIJAFMJ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 141.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.59
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide?

The IUPAC name of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide (CID 123742178) is N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide.

What is the SMILES notation for N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide?

The canonical SMILES for N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide is Cc1cc(Oc2cccnc2)cc(C(=O)NC(C)Cc2cc(Oc3cccnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1.

What is the InChIKey of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide?

The InChIKey is ZIYRXJFFIJAFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN7O4/c1-19(36-30(40)26-15-24(13-20(2)35-26)42-22-6-4-10-33-17-22)12-21-14-25(43-23-7-5-11-34-18-23)16-27(37-21)31(41)39-29-9-3-8-28(32)38-29/h3-11,13-19H,12H2,1-2H3,(H,36,40)(H,38,39,41).

What are the key properties of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide?

N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide has a molecular weight of 579.59 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide is sourced from PubChem (CID 123742178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).