1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone

C23H21N3O2 — CID 86728867

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)nc2)c1
InChIInChI=1S/C23H21N3O2/c1-15-10-11-16(13-24-15)22(26-17-6-5-7-18(12-17)28-2)23(27)20-14-25-21-9-4-3-8-19(20)21/h3-14,22,25-26H,1-2H3
InChIKeyHYEPOVXCPOLZRC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.92
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 86728867) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID86728867
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)nc2)c1
InChIInChI=1S/C23H21N3O2/c1-15-10-11-16(13-24-15)22(26-17-6-5-7-18(12-17)28-2)23(27)20-14-25-21-9-4-3-8-19(20)21/h3-14,22,25-26H,1-2H3
InChIKeyHYEPOVXCPOLZRC-UHFFFAOYSA-N
XLogP4.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone (CID 86728867) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)nc2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is HYEPOVXCPOLZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-10-11-16(13-24-15)22(26-17-6-5-7-18(12-17)28-2)23(27)20-14-25-21-9-4-3-8-19(20)21/h3-14,22,25-26H,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 371.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 86728867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).