1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide

C31H29FN4O6 — CID 69482541

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69482541) has the molecular formula C31H29FN4O6 and a molecular weight of 572.59 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482541
• Molecular Formula: C31H29FN4O6
• Molecular Weight: 572.59 g/mol
• Exact Mass: 572.21
• IUPAC Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide
• SMILES: CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
• InChI: InChI=1S/C31H29FN4O6/c1-18(2)42-14-11-33-28(38)25-27(37)26-24(16-20(17-34-26)15-19-7-9-21(32)10-8-19)35(31(25)41)12-13-36-29(39)22-5-3-4-6-23(22)30(36)40/h3-10,16-18,37H,11-15H2,1-2H3,(H,33,38)
• InChIKey: IFNWETVZYZBUBO-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 130.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.59
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide (CID 69482541) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide is CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O.

What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide?

The InChIKey is IFNWETVZYZBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O6/c1-18(2)42-14-11-33-28(38)25-27(37)26-24(16-20(17-34-26)15-19-7-9-21(32)10-8-19)35(31(25)41)12-13-36-29(39)22-5-3-4-6-23(22)30(36)40/h3-10,16-18,37H,11-15H2,1-2H3,(H,33,38).

What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide?

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 572.59 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(2-propan-2-yloxyethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).