4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C28H28N2O3 — CID 53317307

IUPAC4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
InChIKeyOLOYPXPKAJGIQP-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.04
Rot. Bonds8

About 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 53317307) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID53317307
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
InChIKeyOLOYPXPKAJGIQP-UHFFFAOYSA-N
XLogP5.04
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 53317307) is 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is OLOYPXPKAJGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2.
What are the key properties of 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 440.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 53317307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).