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

C29H25FN4O6 — CID 69482042

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C29H25FN4O6/c1-16(15-35)32-26(37)23-25(36)24-22(13-18(14-31-24)12-17-6-8-19(30)9-7-17)33(29(23)40)10-11-34-27(38)20-4-2-3-5-21(20)28(34)39/h2-9,13-14,16,35-36H,10-12,15H2,1H3,(H,32,37)
InChIKeyKHRNMLZJEYVSOW-UHFFFAOYSA-N
MW544.54 g/mol
LogP2.24
Rot. Bonds8

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482042) has the molecular formula C29H25FN4O6 and a molecular weight of 544.54 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482042
Molecular FormulaC29H25FN4O6
Molecular Weight544.54 g/mol
Exact Mass544.18
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C29H25FN4O6/c1-16(15-35)32-26(37)23-25(36)24-22(13-18(14-31-24)12-17-6-8-19(30)9-7-17)33(29(23)40)10-11-34-27(38)20-4-2-3-5-21(20)28(34)39/h2-9,13-14,16,35-36H,10-12,15H2,1H3,(H,32,37)
InChIKeyKHRNMLZJEYVSOW-UHFFFAOYSA-N
XLogP2.24
TPSA141.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.54
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482042) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-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-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is CC(CO)NC(=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-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is KHRNMLZJEYVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O6/c1-16(15-35)32-26(37)23-25(36)24-22(13-18(14-31-24)12-17-6-8-19(30)9-7-17)33(29(23)40)10-11-34-27(38)20-4-2-3-5-21(20)28(34)39/h2-9,13-14,16,35-36H,10-12,15H2,1H3,(H,32,37).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 544.54 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 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-N-(1-hydroxypropan-2-yl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).