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

C20H26N2O2 — CID 57393208

IUPAC1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1cccc(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-11-22(16)12-5-13-24-19-8-3-7-17(14-19)18-9-10-20(23)21(2)15-18/h3,7-10,14-16H,4-6,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQSMYFYVFZBONDI-MRXNPFEDSA-N
MW326.44 g/mol
LogP3.31
Rot. Bonds6

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

1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (PubChem CID 57393208) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
PubChem CID57393208
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1cccc(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-11-22(16)12-5-13-24-19-8-3-7-17(14-19)18-9-10-20(23)21(2)15-18/h3,7-10,14-16H,4-6,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQSMYFYVFZBONDI-MRXNPFEDSA-N
XLogP3.31
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(m-Methoxycinnamoyl)pyrrolidine
CID 5373710
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 54764158
1-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 11515374
2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995678
2,6-dimethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995682
2-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995994
(E)-3-[1-[2-(3-ethoxyphenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846207
2-ethyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363717
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 53363718
2-methyl-6-[4-[(2S)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 56677285
2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (CID 57393208) is 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is C[C@@H]1CCCN1CCCOc1cccc(-c2ccc(=O)n(C)c2)c1.
What is the InChIKey of 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The InChIKey is QSMYFYVFZBONDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-6-4-11-22(16)12-5-13-24-19-8-3-7-17(14-19)18-9-10-20(23)21(2)15-18/h3,7-10,14-16H,4-6,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 57393208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).