[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone

C21H27N3O2 — CID 168930990

IUPAC[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
SMILESCCN1C=CCC(C(=O)n2cc(CCN(C)C)c3ccc(OC)cc32)=C1
InChIInChI=1S/C21H27N3O2/c1-5-23-11-6-7-17(14-23)21(25)24-15-16(10-12-22(2)3)19-9-8-18(26-4)13-20(19)24/h6,8-9,11,13-15H,5,7,10,12H2,1-4H3
InChIKeyUSHYWUJYROJYQS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.52
Rot. Bonds6

About [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone

[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone (PubChem CID 168930990) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
PubChem CID168930990
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
SMILESCCN1C=CCC(C(=O)n2cc(CCN(C)C)c3ccc(OC)cc32)=C1
InChIInChI=1S/C21H27N3O2/c1-5-23-11-6-7-17(14-23)21(25)24-15-16(10-12-22(2)3)19-9-8-18(26-4)13-20(19)24/h6,8-9,11,13-15H,5,7,10,12H2,1-4H3
InChIKeyUSHYWUJYROJYQS-UHFFFAOYSA-N
XLogP3.52
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931262
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 168931025
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136
N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
CID 168931076
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930953

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone (CID 168930990) is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone is CCN1C=CCC(C(=O)n2cc(CCN(C)C)c3ccc(OC)cc32)=C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone?
The InChIKey is USHYWUJYROJYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-23-11-6-7-17(14-23)21(25)24-15-16(10-12-22(2)3)19-9-8-18(26-4)13-20(19)24/h6,8-9,11,13-15H,5,7,10,12H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone?
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone is sourced from PubChem (CID 168930990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).