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

C20H19N3O2 — CID 58071919

IUPAC(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H19N3O2/c1-13(15-10-19(24)22-12-15)25-20-16-8-5-9-21-18(16)11-17(23-20)14-6-3-2-4-7-14/h2-9,11,13,15H,10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyMYIFTDKCEYNXDY-UKRRQHHQSA-N
MW333.39 g/mol
LogP3.20
Rot. Bonds4

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

(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 58071919) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID58071919
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H19N3O2/c1-13(15-10-19(24)22-12-15)25-20-16-8-5-9-21-18(16)11-17(23-20)14-6-3-2-4-7-14/h2-9,11,13,15H,10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1
InChIKeyMYIFTDKCEYNXDY-UKRRQHHQSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one (CID 58071919) is (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is MYIFTDKCEYNXDY-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(15-10-19(24)22-12-15)25-20-16-8-5-9-21-18(16)11-17(23-20)14-6-3-2-4-7-14/h2-9,11,13,15H,10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).