(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

C26H31N3O5 — CID 58071885

IUPAC(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OCC)c1OCC
InChIInChI=1S/C26H31N3O5/c1-5-31-22-11-17(12-23(32-6-2)25(22)33-7-3)20-14-21-19(9-8-10-27-21)26(29-20)34-16(4)18-13-24(30)28-15-18/h8-12,14,16,18H,5-7,13,15H2,1-4H3,(H,28,30)/t16-,18-/m1/s1
InChIKeyXIRFKMIHHAWLMI-SJLPKXTDSA-N
MW465.55 g/mol
LogP4.40
Rot. Bonds10

About (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58071885) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58071885
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OCC)c1OCC
InChIInChI=1S/C26H31N3O5/c1-5-31-22-11-17(12-23(32-6-2)25(22)33-7-3)20-14-21-19(9-8-10-27-21)26(29-20)34-16(4)18-13-24(30)28-15-18/h8-12,14,16,18H,5-7,13,15H2,1-4H3,(H,28,30)/t16-,18-/m1/s1
InChIKeyXIRFKMIHHAWLMI-SJLPKXTDSA-N
XLogP4.40
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5330470
CID 5330470
CID 5330475
CID 5330475
CID 70689792
CID 70689792
CID 24759091
CID 24759091
CID 24965937
CID 24965937
CID 53341029
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CID 53341079
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CID 53341127

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58071885) is (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is CCOc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OCC)c1OCC.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is XIRFKMIHHAWLMI-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-5-31-22-11-17(12-23(32-6-2)25(22)33-7-3)20-14-21-19(9-8-10-27-21)26(29-20)34-16(4)18-13-24(30)28-15-18/h8-12,14,16,18H,5-7,13,15H2,1-4H3,(H,28,30)/t16-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 465.55 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).