6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C29H27FN6O4 — CID 166831360

About 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831360) has the molecular formula C29H27FN6O4 and a molecular weight of 542.57 g/mol. Its IUPAC name is 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831360
• Molecular Formula: C29H27FN6O4
• Molecular Weight: 542.57 g/mol
• Exact Mass: 542.21
• IUPAC Name: 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(NC(=O)c1c(O)c2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
• InChI: InChI=1S/C29H27FN6O4/c1-18(20-3-5-22(30)6-4-20)34-28(38)25-26(37)23-14-21(24-7-2-19(15-31)16-32-24)17-33-27(23)36(29(25)39)9-8-35-10-12-40-13-11-35/h2-7,14,16-18,37H,8-13H2,1H3,(H,34,38)
• InChIKey: PODPAVXUKHFDSU-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 133.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831360) is 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1c(O)c2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1.

What is the InChIKey of 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is PODPAVXUKHFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O4/c1-18(20-3-5-22(30)6-4-20)34-28(38)25-26(37)23-14-21(24-7-2-19(15-31)16-32-24)17-33-27(23)36(29(25)39)9-8-35-10-12-40-13-11-35/h2-7,14,16-18,37H,8-13H2,1H3,(H,34,38).

What are the key properties of 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).