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

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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).