N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine

C23H25N3S — CID 5329368

IUPACN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
SMILESCC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C23H25N3S/c1-17(13-25(2)3)14-26-15-22(21-6-4-5-7-23(21)26)20-10-19(11-24-12-20)18-8-9-27-16-18/h4-12,15-17H,13-14H2,1-3H3
InChIKeyQQOJRBANIUPIQJ-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.63
Rot. Bonds6

About N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine

N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine (PubChem CID 5329368) has the molecular formula C23H25N3S and a molecular weight of 375.54 g/mol. Its IUPAC name is N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
PubChem CID5329368
Molecular FormulaC23H25N3S
Molecular Weight375.54 g/mol
Exact Mass375.18
IUPAC NameN,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
SMILESCC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C23H25N3S/c1-17(13-25(2)3)14-26-15-22(21-6-4-5-7-23(21)26)20-10-19(11-24-12-20)18-8-9-27-16-18/h4-12,15-17H,13-14H2,1-3H3
InChIKeyQQOJRBANIUPIQJ-UHFFFAOYSA-N
XLogP5.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine with MolForge

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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
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
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
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,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The IUPAC name of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine (CID 5329368) is N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine is CC(CN(C)C)Cn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21.
What is the InChIKey of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The InChIKey is QQOJRBANIUPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3S/c1-17(13-25(2)3)14-26-15-22(21-6-4-5-7-23(21)26)20-10-19(11-24-12-20)18-8-9-27-16-18/h4-12,15-17H,13-14H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine has a molecular weight of 375.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 5329368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).