1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide

C26H28N4O4 — CID 46401528

IUPAC1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2cccc(Oc3cnccn3)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H28N4O4/c1-3-4-14-30-24(31)16-22(25(30)18-8-10-20(33-2)11-9-18)26(32)29-19-6-5-7-21(15-19)34-23-17-27-12-13-28-23/h5-13,15,17,22,25H,3-4,14,16H2,1-2H3,(H,29,32)
InChIKeyUIFKNJXRKVHUHN-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.61
Rot. Bonds9

About 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 46401528) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID46401528
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2cccc(Oc3cnccn3)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H28N4O4/c1-3-4-14-30-24(31)16-22(25(30)18-8-10-20(33-2)11-9-18)26(32)29-19-6-5-7-21(15-19)34-23-17-27-12-13-28-23/h5-13,15,17,22,25H,3-4,14,16H2,1-2H3,(H,29,32)
InChIKeyUIFKNJXRKVHUHN-UHFFFAOYSA-N
XLogP4.61
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95568106
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
N-(4-acetamido-3-chlorophenyl)-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24646739
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864249
1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 46401528) is 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2cccc(Oc3cnccn3)c2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UIFKNJXRKVHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-4-14-30-24(31)16-22(25(30)18-8-10-20(33-2)11-9-18)26(32)29-19-6-5-7-21(15-19)34-23-17-27-12-13-28-23/h5-13,15,17,22,25H,3-4,14,16H2,1-2H3,(H,29,32).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46401528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).