N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine

C21H21N3S — CID 5329362

IUPACN,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine
SMILESCN(C)CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C21H21N3S/c1-23(2)8-9-24-14-20(19-5-3-4-6-21(19)24)18-11-17(12-22-13-18)16-7-10-25-15-16/h3-7,10-15H,8-9H2,1-2H3
InChIKeyKHMGHCIGLDWGQP-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.99
Rot. Bonds5

About N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine

N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine (PubChem CID 5329362) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine
PubChem CID5329362
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC NameN,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine
SMILESCN(C)CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C21H21N3S/c1-23(2)8-9-24-14-20(19-5-3-4-6-21(19)24)18-11-17(12-22-13-18)16-7-10-25-15-16/h3-7,10-15H,8-9H2,1-2H3
InChIKeyKHMGHCIGLDWGQP-UHFFFAOYSA-N
XLogP4.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
Propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 10382523
N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide
CID 11955738
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine (CID 5329362) is N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine is CN(C)CCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine?
The InChIKey is KHMGHCIGLDWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-23(2)8-9-24-14-20(19-5-3-4-6-21(19)24)18-11-17(12-22-13-18)16-7-10-25-15-16/h3-7,10-15H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine?
N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine has a molecular weight of 347.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]ethanamine is sourced from PubChem (CID 5329362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).