2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone

C23H21N3O3 — CID 71542833

IUPAC2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone
SMILESCOc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc(OC)c1
InChIInChI=1S/C23H21N3O3/c1-28-17-10-16(11-18(12-17)29-2)26-22(15-6-5-9-24-13-15)23(27)20-14-25-21-8-4-3-7-19(20)21/h3-14,22,25-26H,1-2H3
InChIKeySTIGMNVHUKWLLK-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.62
Rot. Bonds7

About 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone

2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone (PubChem CID 71542833) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone
PubChem CID71542833
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone
SMILESCOc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc(OC)c1
InChIInChI=1S/C23H21N3O3/c1-28-17-10-16(11-18(12-17)29-2)26-22(15-6-5-9-24-13-15)23(27)20-14-25-21-8-4-3-7-19(20)21/h3-14,22,25-26H,1-2H3
InChIKeySTIGMNVHUKWLLK-UHFFFAOYSA-N
XLogP4.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone (CID 71542833) is 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone is COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone?
The InChIKey is STIGMNVHUKWLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-17-10-16(11-18(12-17)29-2)26-22(15-6-5-9-24-13-15)23(27)20-14-25-21-8-4-3-7-19(20)21/h3-14,22,25-26H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone?
2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone has a molecular weight of 387.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 71542833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).