5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one

C17H21N3O — CID 43259609

IUPAC5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one
SMILESCC1Cc2ccccc2N1CCCn1cc(N)ccc1=O
InChIInChI=1S/C17H21N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,12-13H,4,9-11,18H2,1H3
InChIKeyOXCLHPPHLNEMNX-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.27
Rot. Bonds4

About 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one (PubChem CID 43259609) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one
PubChem CID43259609
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one
SMILESCC1Cc2ccccc2N1CCCn1cc(N)ccc1=O
InChIInChI=1S/C17H21N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,12-13H,4,9-11,18H2,1H3
InChIKeyOXCLHPPHLNEMNX-UHFFFAOYSA-N
XLogP2.27
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939
3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
CID 43365585
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one (CID 43259609) is 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one is CC1Cc2ccccc2N1CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one?
The InChIKey is OXCLHPPHLNEMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-11-14-5-2-3-6-16(14)20(13)10-4-9-19-12-15(18)7-8-17(19)21/h2-3,5-8,12-13H,4,9-11,18H2,1H3.
What are the key properties of 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 43259609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).