2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

C17H19N3O — CID 80571900

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)CC1CNc2ccccc21)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,12,14,19H,10-11H2,1H3,(H,20,21)
InChIKeyXHYZDIRNTWYMGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 80571900) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID80571900
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)CC1CNc2ccccc21)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,12,14,19H,10-11H2,1H3,(H,20,21)
InChIKeyXHYZDIRNTWYMGL-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
N-(1-cyclopropylpropan-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573557
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 80571900) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)CC1CNc2ccccc21)c1ccncc1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is XHYZDIRNTWYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,12,14,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 80571900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).