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

C20H26N2O2 — CID 54764158

IUPAC1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
InChIKeyMCNAJLPLCULBOJ-MRXNPFEDSA-N
MW326.44 g/mol
LogP3.31
Rot. Bonds6

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

1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (PubChem CID 54764158) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
PubChem CID54764158
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
InChIKeyMCNAJLPLCULBOJ-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (CID 54764158) is 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1.
What is the InChIKey of 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The InChIKey is MCNAJLPLCULBOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
1-methyl-5-[4-[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-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 54764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).