2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide

C15H13N3O2 — CID 96557176

IUPAC2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccncc1
InChIInChI=1S/C15H13N3O2/c19-14(17-10-5-7-16-8-6-10)9-13-11-3-1-2-4-12(11)15(20)18-13/h1-8,13H,9H2,(H,18,20)(H,16,17,19)/t13-/m0/s1
InChIKeyJWVDJXFVKSCIBW-ZDUSSCGKSA-N
MW267.29 g/mol
LogP1.89
Rot. Bonds3

About 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide

2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 96557176) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
PubChem CID96557176
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccncc1
InChIInChI=1S/C15H13N3O2/c19-14(17-10-5-7-16-8-6-10)9-13-11-3-1-2-4-12(11)15(20)18-13/h1-8,13H,9H2,(H,18,20)(H,16,17,19)/t13-/m0/s1
InChIKeyJWVDJXFVKSCIBW-ZDUSSCGKSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(2-oxo-1H-pyridin-4-yl)acetamide
CID 157016749
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
N-(2-methyl-1-benzofuran-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 131898238
N-(1-methylindol-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71701889
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 155916871
2-[3,5-dimethyl-4-[[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 46988724
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
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
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide (CID 96557176) is 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide is O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccncc1.
What is the InChIKey of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is JWVDJXFVKSCIBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(17-10-5-7-16-8-6-10)9-13-11-3-1-2-4-12(11)15(20)18-13/h1-8,13H,9H2,(H,18,20)(H,16,17,19)/t13-/m0/s1.
What are the key properties of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide?
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 267.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 96557176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).