1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

C26H27N3O4 — CID 55800666

IUPAC1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1=O
InChIInChI=1S/C26H27N3O4/c1-3-19-7-4-5-10-23(19)29-17-20(13-25(29)30)26(31)28-16-18-11-12-24(27-15-18)33-22-9-6-8-21(14-22)32-2/h4-12,14-15,20H,3,13,16-17H2,1-2H3,(H,28,31)
InChIKeyKMXJHYSQHLAFPP-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.11
Rot. Bonds8

About 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55800666) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55800666
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1=O
InChIInChI=1S/C26H27N3O4/c1-3-19-7-4-5-10-23(19)29-17-20(13-25(29)30)26(31)28-16-18-11-12-24(27-15-18)33-22-9-6-8-21(14-22)32-2/h4-12,14-15,20H,3,13,16-17H2,1-2H3,(H,28,31)
InChIKeyKMXJHYSQHLAFPP-UHFFFAOYSA-N
XLogP4.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538
2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 119246761
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51146905
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134040307
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55800666) is 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMXJHYSQHLAFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-3-19-7-4-5-10-23(19)29-17-20(13-25(29)30)26(31)28-16-18-11-12-24(27-15-18)33-22-9-6-8-21(14-22)32-2/h4-12,14-15,20H,3,13,16-17H2,1-2H3,(H,28,31).
What are the key properties of 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55800666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).