1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one

C20H26N2O2 — CID 57390580

IUPAC1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2cccc(=O)n2C)cc1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-13-22(16)14-5-15-24-18-11-9-17(10-12-18)19-7-3-8-20(23)21(19)2/h3,7-12,16H,4-6,13-15H2,1-2H3/t16-/m1/s1
InChIKeyCDBMTHSLJBFRAM-MRXNPFEDSA-N
MW326.44 g/mol
LogP3.31
Rot. Bonds6

About 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one

1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (PubChem CID 57390580) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
PubChem CID57390580
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2cccc(=O)n2C)cc1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-13-22(16)14-5-15-24-18-11-9-17(10-12-18)19-7-3-8-20(23)21(19)2/h3,7-12,16H,4-6,13-15H2,1-2H3/t16-/m1/s1
InChIKeyCDBMTHSLJBFRAM-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

N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
N-ethyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethanamine
CID 9944320
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
(S)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)phenoxy)propyl)piperidine
CID 44592098
(R)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)phenoxy)propyl)piperidine
CID 44592126
4-Fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)piperidine
CID 44592127
4-Fluoro-1-(3-(4-(pyrrolidin-1-ylmethyl)phenoxy)propyl)piperidine
CID 44592129
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 54764158
5-methoxy-1-(4-methoxybenzyl)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 23724295
(4-Ethoxyphenyl)(pyrrolidin-1-yl)methanone
CID 721195
N,N-dimethyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methanamine
CID 9878707

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one (CID 57390580) is 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is C[C@@H]1CCCN1CCCOc1ccc(-c2cccc(=O)n2C)cc1.
What is the InChIKey of 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
The InChIKey is CDBMTHSLJBFRAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-6-4-13-22(16)14-5-15-24-18-11-9-17(10-12-18)19-7-3-8-20(23)21(19)2/h3,7-12,16H,4-6,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one?
1-methyl-6-[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-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 57390580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).