1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone

C22H19N3O2 — CID 86728602

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-6-4-5-16(13-17)25-21(15-9-11-23-12-10-15)22(26)19-14-24-20-8-3-2-7-18(19)20/h2-14,21,24-25H,1H3
InChIKeyFHMCPGZWXSKGLZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.61
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone (PubChem CID 86728602) 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-4-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone
PubChem CID86728602
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-6-4-5-16(13-17)25-21(15-9-11-23-12-10-15)22(26)19-14-24-20-8-3-2-7-18(19)20/h2-14,21,24-25H,1H3
InChIKeyFHMCPGZWXSKGLZ-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

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Bpr-0L075
CID 10359957
Koeniginequinone A
CID 11264975
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone (CID 86728602) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone?
The InChIKey is FHMCPGZWXSKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-6-4-5-16(13-17)25-21(15-9-11-23-12-10-15)22(26)19-14-24-20-8-3-2-7-18(19)20/h2-14,21,24-25H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-ylethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-4-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-4-ylethanone is sourced from PubChem (CID 86728602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).