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

C26H23N3O4 — CID 45184617

IUPAC2-[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)CC1(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
InChIKeyQSWLEMJFWWSGSP-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.92
Rot. Bonds8

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

2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (PubChem CID 45184617) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
PubChem CID45184617
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[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)CC1(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
InChIKeyQSWLEMJFWWSGSP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[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-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide (CID 45184617) is 2-[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-[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-[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)CC1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of 2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
The InChIKey is QSWLEMJFWWSGSP-UHFFFAOYSA-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.
What are the key properties of 2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide?
2-[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-[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 45184617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).