4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C30H30N2O3 — CID 53321222

IUPAC4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(-c3ccccc3)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C30H30N2O3/c33-30-22-29(35-23-24-8-10-26(11-9-24)25-6-2-1-3-7-25)16-19-32(30)27-12-14-28(15-13-27)34-21-20-31-17-4-5-18-31/h1-3,6-16,19,22H,4-5,17-18,20-21,23H2
InChIKeyBCGCSLIVAXUDLX-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.56
Rot. Bonds9

About 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 53321222) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID53321222
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(-c3ccccc3)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C30H30N2O3/c33-30-22-29(35-23-24-8-10-26(11-9-24)25-6-2-1-3-7-25)16-19-32(30)27-12-14-28(15-13-27)34-21-20-31-17-4-5-18-31/h1-3,6-16,19,22H,4-5,17-18,20-21,23H2
InChIKeyBCGCSLIVAXUDLX-UHFFFAOYSA-N
XLogP5.56
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 53321222) is 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccc(-c3ccccc3)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is BCGCSLIVAXUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c33-30-22-29(35-23-24-8-10-26(11-9-24)25-6-2-1-3-7-25)16-19-32(30)27-12-14-28(15-13-27)34-21-20-31-17-4-5-18-31/h1-3,6-16,19,22H,4-5,17-18,20-21,23H2.
What are the key properties of 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 466.58 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 53321222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).