[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone

C17H19N3O — CID 63235606

IUPAC[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(CCN)c3ccccc32)cn1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)17(21)20-11-14(8-9-18)15-4-2-3-5-16(15)20/h2-7,10,14H,8-9,11,18H2,1H3
InChIKeyFLOIKYSPLIQUSZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds3

About [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 63235606) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID63235606
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(CCN)c3ccccc32)cn1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)17(21)20-11-14(8-9-18)15-4-2-3-5-16(15)20/h2-7,10,14H,8-9,11,18H2,1H3
InChIKeyFLOIKYSPLIQUSZ-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 63235606) is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC(CCN)c3ccccc32)cn1.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is FLOIKYSPLIQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)17(21)20-11-14(8-9-18)15-4-2-3-5-16(15)20/h2-7,10,14H,8-9,11,18H2,1H3.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 63235606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).