(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C21H21N3O4 — CID 58071896

IUPAC(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-26-18-6-5-14(9-19(18)27-2)16-10-17-15(4-3-7-22-17)21(24-16)28-12-13-8-20(25)23-11-13/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyYSFVSZHFOYRRJX-CYBMUJFWSA-N
MW379.42 g/mol
LogP2.83
Rot. Bonds6

About (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 58071896) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID58071896
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-26-18-6-5-14(9-19(18)27-2)16-10-17-15(4-3-7-22-17)21(24-16)28-12-13-8-20(25)23-11-13/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyYSFVSZHFOYRRJX-CYBMUJFWSA-N
XLogP2.83
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 58071896) is (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is YSFVSZHFOYRRJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-18-6-5-14(9-19(18)27-2)16-10-17-15(4-3-7-22-17)21(24-16)28-12-13-8-20(25)23-11-13/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).