2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C24H21N3O3 — CID 42163523

IUPAC2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc21)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29)/t17-,21-/m1/s1
InChIKeyDQVNQKDOWLXXEZ-DYESRHJHSA-N
MW399.45 g/mol
LogP3.04
Rot. Bonds5

About 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42163523) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42163523
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc21)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1
InChIInChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29)/t17-,21-/m1/s1
InChIKeyDQVNQKDOWLXXEZ-DYESRHJHSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 45189482
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085
3-(3-methylpyrazol-1-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42165932
3-(3-methylpyrazol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45187464
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42398905
2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26399304
3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 74780992
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42246567
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42163523) is 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is O=C(C[C@H]1NC(=O)c2ccccc21)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1.
What is the InChIKey of 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is DQVNQKDOWLXXEZ-DYESRHJHSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(13-21-19-5-1-2-6-20(19)24(29)27-21)26-14-17-12-16-4-3-7-18(23(16)30-17)15-8-10-25-11-9-15/h1-11,17,21H,12-14H2,(H,26,28)(H,27,29)/t17-,21-/m1/s1.
What are the key properties of 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42163523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).