3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C24H22N4O3 — CID 45191429

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(-c3cncnc3)ccc2O1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H22N4O3/c29-23-5-2-8-28(23)20-4-1-3-17(10-20)24(30)27-14-21-11-18-9-16(6-7-22(18)31-21)19-12-25-15-26-13-19/h1,3-4,6-7,9-10,12-13,15,21H,2,5,8,11,14H2,(H,27,30)
InChIKeyOSNZBCMWPABYGY-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.00
Rot. Bonds5

About 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45191429) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45191429
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(-c3cncnc3)ccc2O1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C24H22N4O3/c29-23-5-2-8-28(23)20-4-1-3-17(10-20)24(30)27-14-21-11-18-9-16(6-7-22(18)31-21)19-12-25-15-26-13-19/h1,3-4,6-7,9-10,12-13,15,21H,2,5,8,11,14H2,(H,27,30)
InChIKeyOSNZBCMWPABYGY-UHFFFAOYSA-N
XLogP3.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45191429) is 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cc(-c3cncnc3)ccc2O1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is OSNZBCMWPABYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23-5-2-8-28(23)20-4-1-3-17(10-20)24(30)27-14-21-11-18-9-16(6-7-22(18)31-21)19-12-25-15-26-13-19/h1,3-4,6-7,9-10,12-13,15,21H,2,5,8,11,14H2,(H,27,30).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45191429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).