N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide

C31H24F3N7O4 — CID 123652034

About N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide

N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide (PubChem CID 123652034) has the molecular formula C31H24F3N7O4 and a molecular weight of 615.57 g/mol. Its IUPAC name is N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
• PubChem CID: 123652034
• Molecular Formula: C31H24F3N7O4
• Molecular Weight: 615.57 g/mol
• Exact Mass: 615.18
• IUPAC Name: N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cc(Oc2cncc(F)c2)cc(C(=O)NC(C)Cc2cc(Oc3cncc(F)c3)cc(C(=O)Nc3cccc(F)n3)n2)n1
• InChI: InChI=1S/C31H24F3N7O4/c1-17(38-30(42)26-11-22(7-18(2)37-26)44-24-8-19(32)13-35-15-24)6-21-10-23(45-25-9-20(33)14-36-16-25)12-27(39-21)31(43)41-29-5-3-4-28(34)40-29/h3-5,7-17H,6H2,1-2H3,(H,38,42)(H,40,41,43)
• InChIKey: MWDHYEWWXFAUDX-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 141.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.57
LogP ≤ 5	5.59
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-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide (CID 123652034) is N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide is Cc1cc(Oc2cncc(F)c2)cc(C(=O)NC(C)Cc2cc(Oc3cncc(F)c3)cc(C(=O)Nc3cccc(F)n3)n2)n1.

What is the InChIKey of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide?

The InChIKey is MWDHYEWWXFAUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N7O4/c1-17(38-30(42)26-11-22(7-18(2)37-26)44-24-8-19(32)13-35-15-24)6-21-10-23(45-25-9-20(33)14-36-16-25)12-27(39-21)31(43)41-29-5-3-4-28(34)40-29/h3-5,7-17H,6H2,1-2H3,(H,38,42)(H,40,41,43).

What are the key properties of N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide?

N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide has a molecular weight of 615.57 g/mol, XLogP of 5.59, 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-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]propan-2-yl]-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 123652034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).