1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone

C23H21N3O — CID 139422871

IUPAC1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17/h1-11,13,15-16,22,25-26H,12,14H2
InChIKeyTZQGKSNTKWSUDI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.32
Rot. Bonds7

About 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone

1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone (PubChem CID 139422871) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
PubChem CID139422871
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17/h1-11,13,15-16,22,25-26H,12,14H2
InChIKeyTZQGKSNTKWSUDI-UHFFFAOYSA-N
XLogP4.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
CID 139422935
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-pyridin-4-yl-1H-indol-3-yl)ethanone
CID 139423104
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
(2R)-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylethanone
CID 158666858
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 22689997
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone (CID 139422871) is 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone is O=C(c1c[nH]c2ccccc12)C(NCCc1cccnc1)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone?
The InChIKey is TZQGKSNTKWSUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17/h1-11,13,15-16,22,25-26H,12,14H2.
What are the key properties of 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone?
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone has a molecular weight of 355.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone is sourced from PubChem (CID 139422871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).