1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one

C26H30N2O2 — CID 57398452

IUPAC1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/m1/s1
InChIKeyYNOBKYPMVPHMCV-OAQYLSRUSA-N
MW402.54 g/mol
LogP4.82
Rot. Bonds8

About 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one

1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (PubChem CID 57398452) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
PubChem CID57398452
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/m1/s1
InChIKeyYNOBKYPMVPHMCV-OAQYLSRUSA-N
XLogP4.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (CID 57398452) is 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The InChIKey is YNOBKYPMVPHMCV-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/m1/s1.
What are the key properties of 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one has a molecular weight of 402.54 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 57398452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).