1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone

C17H19N3O — CID 108999183

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNCc1ccccn1
InChIInChI=1S/C17H19N3O/c1-13-10-14-6-2-3-8-16(14)20(13)17(21)12-18-11-15-7-4-5-9-19-15/h2-9,13,18H,10-12H2,1H3
InChIKeyHZIJNQKURJYNOE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone (PubChem CID 108999183) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
PubChem CID108999183
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNCc1ccccn1
InChIInChI=1S/C17H19N3O/c1-13-10-14-6-2-3-8-16(14)20(13)17(21)12-18-11-15-7-4-5-9-19-15/h2-9,13,18H,10-12H2,1H3
InChIKeyHZIJNQKURJYNOE-UHFFFAOYSA-N
XLogP2.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109010975
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2098844
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112532256
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
CID 95347671
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8635542
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone (CID 108999183) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone is CC1Cc2ccccc2N1C(=O)CNCc1ccccn1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone?
The InChIKey is HZIJNQKURJYNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-10-14-6-2-3-8-16(14)20(13)17(21)12-18-11-15-7-4-5-9-19-15/h2-9,13,18H,10-12H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone is sourced from PubChem (CID 108999183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).