1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone

C16H17N3O — CID 108999656

IUPAC1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
SMILESO=C(CNCc1ccncc1)N1CCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(12-18-11-13-5-8-17-9-6-13)19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9,18H,7,10-12H2
InChIKeyNCIOOHCYBCNGDK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone

1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone (PubChem CID 108999656) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
PubChem CID108999656
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
SMILESO=C(CNCc1ccncc1)N1CCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(12-18-11-13-5-8-17-9-6-13)19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9,18H,7,10-12H2
InChIKeyNCIOOHCYBCNGDK-UHFFFAOYSA-N
XLogP1.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
CID 167826040
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109055189
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110417579

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone (CID 108999656) is 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone is O=C(CNCc1ccncc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone?
The InChIKey is NCIOOHCYBCNGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(12-18-11-13-5-8-17-9-6-13)19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9,18H,7,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone has a molecular weight of 267.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone is sourced from PubChem (CID 108999656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).