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

C22H23N3S — CID 5329367

IUPACN,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C22H23N3S/c1-24(2)9-5-10-25-15-21(20-6-3-4-7-22(20)25)19-12-18(13-23-14-19)17-8-11-26-16-17/h3-4,6-8,11-16H,5,9-10H2,1-2H3
InChIKeySJOOREQEKGMGLH-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.38
Rot. Bonds6

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

N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine (PubChem CID 5329367) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
PubChem CID5329367
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC NameN,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21
InChIInChI=1S/C22H23N3S/c1-24(2)9-5-10-25-15-21(20-6-3-4-7-22(20)25)19-12-18(13-23-14-19)17-8-11-26-16-17/h3-4,6-8,11-16H,5,9-10H2,1-2H3
InChIKeySJOOREQEKGMGLH-UHFFFAOYSA-N
XLogP5.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine (CID 5329367) is N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine is CN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
The InChIKey is SJOOREQEKGMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-24(2)9-5-10-25-15-21(20-6-3-4-7-22(20)25)19-12-18(13-23-14-19)17-8-11-26-16-17/h3-4,6-8,11-16H,5,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine has a molecular weight of 361.51 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 5329367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).