1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone

C22H19N3O2 — CID 71542830

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-8-4-7-16(12-17)25-21(15-6-5-11-23-13-15)22(26)19-14-24-20-10-3-2-9-18(19)20/h2-14,21,24-25H,1H3
InChIKeyFMRYGOIHTMRTMI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.61
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone (PubChem CID 71542830) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
PubChem CID71542830
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-8-4-7-16(12-17)25-21(15-6-5-11-23-13-15)22(26)19-14-24-20-10-3-2-9-18(19)20/h2-14,21,24-25H,1H3
InChIKeyFMRYGOIHTMRTMI-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-7-ylethanone
CID 86728634
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
CID 86728916
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
1-(1H-indol-3-yl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-2-phenylethanone
CID 86728918
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
CID 86728982

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone (CID 71542830) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone?
The InChIKey is FMRYGOIHTMRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-8-4-7-16(12-17)25-21(15-6-5-11-23-13-15)22(26)19-14-24-20-10-3-2-9-18(19)20/h2-14,21,24-25H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone has a molecular weight of 357.41 g/mol, XLogP of 4.61, 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-pyridin-3-ylethanone is sourced from PubChem (CID 71542830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).