2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C16H15N3O2 — CID 40535831

IUPAC2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C16H15N3O2/c20-15(18-10-11-4-3-7-17-9-11)8-14-12-5-1-2-6-13(12)16(21)19-14/h1-7,9,14H,8,10H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyIEZRGIOXMBPBDN-AWEZNQCLSA-N
MW281.31 g/mol
LogP1.57
Rot. Bonds4

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

2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 40535831) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID40535831
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C16H15N3O2/c20-15(18-10-11-4-3-7-17-9-11)8-14-12-5-1-2-6-13(12)16(21)19-14/h1-7,9,14H,8,10H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyIEZRGIOXMBPBDN-AWEZNQCLSA-N
XLogP1.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
2-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47150142
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 51842319
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126588
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
N-benzyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829877
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 40535831) is 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cccnc1.
What is the InChIKey of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is IEZRGIOXMBPBDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15(18-10-11-4-3-7-17-9-11)8-14-12-5-1-2-6-13(12)16(21)19-14/h1-7,9,14H,8,10H2,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 1.57, 4 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-3-ylmethyl)acetamide is sourced from PubChem (CID 40535831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).