(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C17H21N3O — CID 104921233

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O/c1-12-6-8-20(9-7-12)17(21)15(18)10-13-11-19-16-5-3-2-4-14(13)16/h2-6,11,15,19H,7-10,18H2,1H3/t15-/m1/s1
InChIKeyOCWRIMIZSCRVKL-OAHLLOKOSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds3

About (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 104921233) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID104921233
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O/c1-12-6-8-20(9-7-12)17(21)15(18)10-13-11-19-16-5-3-2-4-14(13)16/h2-6,11,15,19H,7-10,18H2,1H3/t15-/m1/s1
InChIKeyOCWRIMIZSCRVKL-OAHLLOKOSA-N
XLogP2.22
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
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CID 119956430
(2S)-2-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
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1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 119956056
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one;dihydrochloride
CID 154901094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 104921233) is (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CC1=CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is OCWRIMIZSCRVKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-6-8-20(9-7-12)17(21)15(18)10-13-11-19-16-5-3-2-4-14(13)16/h2-6,11,15,19H,7-10,18H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 104921233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).