N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C20H23N3O3 — CID 110270269

IUPACN-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1cccc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-16(11-9-14)26-19-7-3-5-17(22-19)18-6-4-12-23(18)20(25)13-21-15(2)24/h3,5,7-11,18H,4,6,12-13H2,1-2H3,(H,21,24)
InChIKeyJGEPREDSEDYICR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110270269) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110270269
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1cccc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-16(11-9-14)26-19-7-3-5-17(22-19)18-6-4-12-23(18)20(25)13-21-15(2)24/h3,5,7-11,18H,4,6,12-13H2,1-2H3,(H,21,24)
InChIKeyJGEPREDSEDYICR-UHFFFAOYSA-N
XLogP2.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110270247
1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 110270348
N-[2-oxo-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]acetamide
CID 95818338
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
N-[[6-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107821

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 110270269) is N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC1c1cccc(Oc2ccc(C)cc2)n1.
What is the InChIKey of N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is JGEPREDSEDYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-10-16(11-9-14)26-19-7-3-5-17(22-19)18-6-4-12-23(18)20(25)13-21-15(2)24/h3,5,7-11,18H,4,6,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110270269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).