6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

C23H22F2N4O2 — CID 170781574

About 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170781574) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 170781574
• Molecular Formula: C23H22F2N4O2
• Molecular Weight: 424.45 g/mol
• Exact Mass: 424.17
• IUPAC Name: 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3F)CC(=O)C(C)=N4)CC2)c(F)n1
• InChI: InChI=1S/C23H22F2N4O2/c1-13-20(30)11-17-18(27-13)5-3-15(21(17)24)12-29-9-7-14(8-10-29)16-4-6-19(23(31)26-2)28-22(16)25/h3-7H,8-12H2,1-2H3,(H,26,31)
• InChIKey: VKCPDAQHNQPWNL-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.45
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (CID 170781574) is 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3F)CC(=O)C(C)=N4)CC2)c(F)n1.

What is the InChIKey of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is VKCPDAQHNQPWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-13-20(30)11-17-18(27-13)5-3-15(21(17)24)12-29-9-7-14(8-10-29)16-4-6-19(23(31)26-2)28-22(16)25/h3-7H,8-12H2,1-2H3,(H,26,31).

What are the key properties of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?

6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-quinolin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170781574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).