2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C26H25N3O4 — CID 42340752

IUPAC2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1
InChIInChI=1S/C26H25N3O4/c1-15-5-4-10-27-24(15)20-7-3-6-16-11-18(33-25(16)20)14-28-23(30)13-21-19-9-8-17(32-2)12-22(19)29-26(21)31/h3-10,12,18,21H,11,13-14H2,1-2H3,(H,28,30)(H,29,31)/t18-,21-/m0/s1
InChIKeyGGKVVBUBRXIYGX-RXVVDRJESA-N
MW443.50 g/mol
LogP3.61
Rot. Bonds6

About 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42340752) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42340752
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1
InChIInChI=1S/C26H25N3O4/c1-15-5-4-10-27-24(15)20-7-3-6-16-11-18(33-25(16)20)14-28-23(30)13-21-19-9-8-17(32-2)12-22(19)29-26(21)31/h3-10,12,18,21H,11,13-14H2,1-2H3,(H,28,30)(H,29,31)/t18-,21-/m0/s1
InChIKeyGGKVVBUBRXIYGX-RXVVDRJESA-N
XLogP3.61
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(6-methoxy-2-oxo-1,3-dihydroindol-3-yl)-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 45191151
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 45242894
N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 26345598
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 42171033
3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42326297
2,5-dimethyl-N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 45180483
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
CID 45167343
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42376329
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42340752) is 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1.
What is the InChIKey of 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is GGKVVBUBRXIYGX-RXVVDRJESA-N. The full InChI is InChI=1S/C26H25N3O4/c1-15-5-4-10-27-24(15)20-7-3-6-16-11-18(33-25(16)20)14-28-23(30)13-21-19-9-8-17(32-2)12-22(19)29-26(21)31/h3-10,12,18,21H,11,13-14H2,1-2H3,(H,28,30)(H,29,31)/t18-,21-/m0/s1.
What are the key properties of 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-6-methoxy-2-oxo-1,3-dihydroindol-3-yl]-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42340752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).