6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide

C23H24FN5O4 — CID 58505398

About 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide

6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 58505398) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 58505398
• Molecular Formula: C23H24FN5O4
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.18
• IUPAC Name: 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(-c2cc(CNC(=O)c3cccc(F)n3)ccn2)o1)C(C)C
• InChI: InChI=1S/C23H24FN5O4/c1-13(2)20(23(32)25-3)29-22(31)18-8-7-17(33-18)16-11-14(9-10-26-16)12-27-21(30)15-5-4-6-19(24)28-15/h4-11,13,20H,12H2,1-3H3,(H,25,32)(H,27,30)(H,29,31)/t20-/m0/s1
• InChIKey: BPRCGOXENFMPQC-FQEVSTJZSA-N
• XLogP: 2.31
• TPSA: 126.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide (CID 58505398) is 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cc(CNC(=O)c3cccc(F)n3)ccn2)o1)C(C)C.

What is the InChIKey of 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

The InChIKey is BPRCGOXENFMPQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-13(2)20(23(32)25-3)29-22(31)18-8-7-17(33-18)16-11-14(9-10-26-16)12-27-21(30)15-5-4-6-19(24)28-15/h4-11,13,20H,12H2,1-3H3,(H,25,32)(H,27,30)(H,29,31)/t20-/m0/s1.

What are the key properties of 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide?

6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58505398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).