1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide

C28H31N3O4 — CID 55880454

IUPAC1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C28H31N3O4/c1-3-4-17-31-26(33)18-24(27(31)21-10-14-23(35-2)15-11-21)28(34)29-22-12-8-20(9-13-22)19-30-16-6-5-7-25(30)32/h5-16,24,27H,3-4,17-19H2,1-2H3,(H,29,34)
InChIKeyXZOGFNDQCHFJTR-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.23
Rot. Bonds9

About 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 55880454) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID55880454
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C28H31N3O4/c1-3-4-17-31-26(33)18-24(27(31)21-10-14-23(35-2)15-11-21)28(34)29-22-12-8-20(9-13-22)19-30-16-6-5-7-25(30)32/h5-16,24,27H,3-4,17-19H2,1-2H3,(H,29,34)
InChIKeyXZOGFNDQCHFJTR-UHFFFAOYSA-N
XLogP4.23
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

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
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55509640
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
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(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-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide (CID 55880454) is 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XZOGFNDQCHFJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-3-4-17-31-26(33)18-24(27(31)21-10-14-23(35-2)15-11-21)28(34)29-22-12-8-20(9-13-22)19-30-16-6-5-7-25(30)32/h5-16,24,27H,3-4,17-19H2,1-2H3,(H,29,34).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55880454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).