2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide

C26H23N3O4 — CID 26282405

IUPAC2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccco1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C26H23N3O4/c1-2-14-28(19-22-9-6-15-33-22)23(30)16-26(21-7-4-3-5-8-21)17-24(31)29(25(26)32)18-20-10-12-27-13-11-20/h1,3-13,15H,14,16-19H2/t26-/m1/s1
InChIKeyQSWLEMJFWWSGSP-AREMUKBSSA-N
MW441.49 g/mol
LogP2.92
Rot. Bonds8

About 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide

2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (PubChem CID 26282405) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
PubChem CID26282405
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
SMILESC#CCN(Cc1ccco1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C26H23N3O4/c1-2-14-28(19-22-9-6-15-33-22)23(30)16-26(21-7-4-3-5-8-21)17-24(31)29(25(26)32)18-20-10-12-27-13-11-20/h1,3-13,15H,14,16-19H2/t26-/m1/s1
InChIKeyQSWLEMJFWWSGSP-AREMUKBSSA-N
XLogP2.92
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 45184617
N-(furan-2-ylmethyl)-2-[3-(2-methylphenyl)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-prop-2-ynylacetamide
CID 118756346
N-[2-(diethylamino)ethyl]-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-ethylacetamide
CID 45196252
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 42369054
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 126464256
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45191794
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45194595
3-[2-(6-azabicyclo[3.2.1]octan-6-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45203976
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56852159
(3S)-3-[2-(azocan-1-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42165590
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45181207
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (CID 26282405) is 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide is C#CCN(Cc1ccco1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The InChIKey is QSWLEMJFWWSGSP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-2-14-28(19-22-9-6-15-33-22)23(30)16-26(21-7-4-3-5-8-21)17-24(31)29(25(26)32)18-20-10-12-27-13-11-20/h1,3-13,15H,14,16-19H2/t26-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide has a molecular weight of 441.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 26282405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).