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

C24H26N2O3 — CID 11502008

IUPAC4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2
InChIKeyBZNSXKFFBJLSJV-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.89
Rot. Bonds8

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

4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 11502008) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID11502008
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2
InChIKeyBZNSXKFFBJLSJV-UHFFFAOYSA-N
XLogP3.89
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 11502008) is 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is BZNSXKFFBJLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2.
What are the key properties of 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 11502008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).