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

C29H27FN6O3 — CID 166831562

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

6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831562) has the molecular formula C29H27FN6O3 and a molecular weight of 526.57 g/mol. Its IUPAC name is 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-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]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831562
• Molecular Formula: C29H27FN6O3
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.21
• IUPAC Name: 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(NC(=O)c1cc2cc(-c3ccc(C#N)cn3)cnc2n(CCN2CCOCC2)c1=O)c1ccc(F)cc1
• InChI: InChI=1S/C29H27FN6O3/c1-19(21-3-5-24(30)6-4-21)34-28(37)25-15-22-14-23(26-7-2-20(16-31)17-32-26)18-33-27(22)36(29(25)38)9-8-35-10-12-39-13-11-35/h2-7,14-15,17-19H,8-13H2,1H3,(H,34,37)
• InChIKey: PVPJTPGYKODHKX-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 113.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-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]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831562) is 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-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]-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]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cc2cc(-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]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is PVPJTPGYKODHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O3/c1-19(21-3-5-24(30)6-4-21)34-28(37)25-15-22-14-23(26-7-2-20(16-31)17-32-26)18-33-27(22)36(29(25)38)9-8-35-10-12-39-13-11-35/h2-7,14-15,17-19H,8-13H2,1H3,(H,34,37).

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

6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyano-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).