5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one

C24H26N2O4 — CID 124879342

IUPAC5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
SMILESCOc1cn(CC(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)c(C)cc1=O
InChIInChI=1S/C24H26N2O4/c1-16-13-21(27)23(30-3)14-25(16)15-24(28)26-12-6-9-20(26)18-10-11-22(29-2)19-8-5-4-7-17(18)19/h4-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-3H3/t20-/m1/s1
InChIKeyRYKVXNDQVSXYFS-HXUWFJFHSA-N
MW406.48 g/mol
LogP3.69
Rot. Bonds5

About 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one

5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one (PubChem CID 124879342) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
PubChem CID124879342
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
SMILESCOc1cn(CC(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)c(C)cc1=O
InChIInChI=1S/C24H26N2O4/c1-16-13-21(27)23(30-3)14-25(16)15-24(28)26-12-6-9-20(26)18-10-11-22(29-2)19-8-5-4-7-17(18)19/h4-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-3H3/t20-/m1/s1
InChIKeyRYKVXNDQVSXYFS-HXUWFJFHSA-N
XLogP3.69
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(3R)-3-[3-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The IUPAC name of 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one (CID 124879342) is 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one.
What is the SMILES notation for 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The canonical SMILES for 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one is COc1cn(CC(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)c(C)cc1=O.
What is the InChIKey of 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The InChIKey is RYKVXNDQVSXYFS-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-13-21(27)23(30-3)14-25(16)15-24(28)26-12-6-9-20(26)18-10-11-22(29-2)19-8-5-4-7-17(18)19/h4-5,7-8,10-11,13-14,20H,6,9,12,15H2,1-3H3/t20-/m1/s1.
What are the key properties of 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one has a molecular weight of 406.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one is sourced from PubChem (CID 124879342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).