5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde

C17H16N2O3 — CID 71915251

IUPAC5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCN3C=O)nc1
InChIInChI=1S/C17H16N2O3/c1-12-2-5-17(18-9-12)22-10-16(21)14-3-4-15-13(8-14)6-7-19(15)11-20/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyZKFOYVWXONXBLH-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds5

About 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde

5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde (PubChem CID 71915251) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde
PubChem CID71915251
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCN3C=O)nc1
InChIInChI=1S/C17H16N2O3/c1-12-2-5-17(18-9-12)22-10-16(21)14-3-4-15-13(8-14)6-7-19(15)11-20/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyZKFOYVWXONXBLH-UHFFFAOYSA-N
XLogP2.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-3,4-dihydroquinolin-2-one
CID 84590061
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
ethane;5-methoxy-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbaldehyde;propan-2-ol
CID 143039478
5-hydroxy-2,3-dihydroindole-1-carbaldehyde
CID 119090717
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55787848
5-[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]-2,3-dihydroindole-1-carbaldehyde
CID 112832306
2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95971278
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8528770
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
2-(2,4-dichlorophenoxy)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 7541316
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644909
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588922

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde (CID 71915251) is 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde is Cc1ccc(OCC(=O)c2ccc3c(c2)CCN3C=O)nc1.
What is the InChIKey of 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is ZKFOYVWXONXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-2-5-17(18-9-12)22-10-16(21)14-3-4-15-13(8-14)6-7-19(15)11-20/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde?
5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 296.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 71915251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).