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

C19H17N3O2 — CID 58072007

IUPAC(4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](COc2nc(-c3ccccc3)cc3ncccc23)CN1
InChIInChI=1S/C19H17N3O2/c23-18-9-13(11-21-18)12-24-19-15-7-4-8-20-17(15)10-16(22-19)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12H2,(H,21,23)/t13-/m1/s1
InChIKeyCLGXSINKRAYEPJ-CYBMUJFWSA-N
MW319.36 g/mol
LogP2.81
Rot. Bonds4

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

(4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 58072007) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one
PubChem CID58072007
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](COc2nc(-c3ccccc3)cc3ncccc23)CN1
InChIInChI=1S/C19H17N3O2/c23-18-9-13(11-21-18)12-24-19-15-7-4-8-20-17(15)10-16(22-19)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12H2,(H,21,23)/t13-/m1/s1
InChIKeyCLGXSINKRAYEPJ-CYBMUJFWSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one (CID 58072007) is (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one is O=C1C[C@@H](COc2nc(-c3ccccc3)cc3ncccc23)CN1.
What is the InChIKey of (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is CLGXSINKRAYEPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-9-13(11-21-18)12-24-19-15-7-4-8-20-17(15)10-16(22-19)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12H2,(H,21,23)/t13-/m1/s1.
What are the key properties of (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one?
(4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(7-phenyl-1,6-naphthyridin-5-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).