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

C32H31FN4O6 — CID 69480136

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C32H31FN4O6/c1-19(2)43-15-5-12-34-29(39)26-28(38)27-25(17-21(18-35-27)16-20-8-10-22(33)11-9-20)36(32(26)42)13-14-37-30(40)23-6-3-4-7-24(23)31(37)41/h3-4,6-11,17-19,38H,5,12-16H2,1-2H3,(H,34,39)
InChIKeyBNVXSAVOLYMDCH-UHFFFAOYSA-N
MW586.62 g/mol
LogP3.67
Rot. Bonds11

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69480136) has the molecular formula C32H31FN4O6 and a molecular weight of 586.62 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide
PubChem CID69480136
Molecular FormulaC32H31FN4O6
Molecular Weight586.62 g/mol
Exact Mass586.22
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C32H31FN4O6/c1-19(2)43-15-5-12-34-29(39)26-28(38)27-25(17-21(18-35-27)16-20-8-10-22(33)11-9-20)36(32(26)42)13-14-37-30(40)23-6-3-4-7-24(23)31(37)41/h3-4,6-11,17-19,38H,5,12-16H2,1-2H3,(H,34,39)
InChIKeyBNVXSAVOLYMDCH-UHFFFAOYSA-N
XLogP3.67
TPSA130.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.62
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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-(3-propan-2-yloxypropyl)-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-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide (CID 69480136) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-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-(3-propan-2-yloxypropyl)-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-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide is CC(C)OCCCNC(=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-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is BNVXSAVOLYMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O6/c1-19(2)43-15-5-12-34-29(39)26-28(38)27-25(17-21(18-35-27)16-20-8-10-22(33)11-9-20)36(32(26)42)13-14-37-30(40)23-6-3-4-7-24(23)31(37)41/h3-4,6-11,17-19,38H,5,12-16H2,1-2H3,(H,34,39).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 586.62 g/mol, XLogP of 3.67, 11 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-(3-propan-2-yloxypropyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).