2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide

C25H25N3O2 — CID 56864431

IUPAC2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18-16-26-13-12-20(18)17-27-23(29)15-25(14-19-8-4-3-5-9-19)21-10-6-7-11-22(21)28(2)24(25)30/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)
InChIKeyOSZGQEQGCWZQPX-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.55
Rot. Bonds6

About 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide (PubChem CID 56864431) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
PubChem CID56864431
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-18-16-26-13-12-20(18)17-27-23(29)15-25(14-19-8-4-3-5-9-19)21-10-6-7-11-22(21)28(2)24(25)30/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)
InChIKeyOSZGQEQGCWZQPX-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56862333
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 156586625
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide (CID 56864431) is 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide is Cc1cnccc1CNC(=O)CC1(Cc2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The InChIKey is OSZGQEQGCWZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-16-26-13-12-20(18)17-27-23(29)15-25(14-19-8-4-3-5-9-19)21-10-6-7-11-22(21)28(2)24(25)30/h3-13,16H,14-15,17H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 56864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).