5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one

C18H22N2O2 — CID 15077302

IUPAC5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
SMILESO=c1cc(CCN2CCCC2)[nH]cc1OCc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17-12-16(8-11-20-9-4-5-10-20)19-13-18(17)22-14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,19,21)
InChIKeyQGHMQAAZQABQPL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.59
Rot. Bonds6

About 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one

5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one (PubChem CID 15077302) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
PubChem CID15077302
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
SMILESO=c1cc(CCN2CCCC2)[nH]cc1OCc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17-12-16(8-11-20-9-4-5-10-20)19-13-18(17)22-14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,19,21)
InChIKeyQGHMQAAZQABQPL-UHFFFAOYSA-N
XLogP2.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
CID 82063819
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
CID 67282165
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
5-[2-(1,4-diazepan-1-yl)ethyl]-2-phenylmethoxyaniline
CID 82256290
2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
CID 123120839
2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine
CID 169034687
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
CID 82063876
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
2-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CID 171385071
3-(2-pyrrolidin-1-ylethyl)-1H-pyrrole
CID 174722909

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one?
The IUPAC name of 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one (CID 15077302) is 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one is O=c1cc(CCN2CCCC2)[nH]cc1OCc1ccccc1.
What is the InChIKey of 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one?
The InChIKey is QGHMQAAZQABQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-12-16(8-11-20-9-4-5-10-20)19-13-18(17)22-14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,19,21).
What are the key properties of 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one?
5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one has a molecular weight of 298.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one is sourced from PubChem (CID 15077302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).