3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine

C24H25N3O — CID 44585329

IUPAC3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H25N3O/c1-27(2)12-5-13-28-22-10-8-18(9-11-22)20-14-21(17-25-16-20)24-15-19-6-3-4-7-23(19)26-24/h3-4,6-11,14-17,26H,5,12-13H2,1-2H3
InChIKeyNCRBDASBZIZCOY-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.23
Rot. Bonds7

About 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine

3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 44585329) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID44585329
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H25N3O/c1-27(2)12-5-13-28-22-10-8-18(9-11-22)20-14-21(17-25-16-20)24-15-19-6-3-4-7-23(19)26-24/h3-4,6-11,14-17,26H,5,12-13H2,1-2H3
InChIKeyNCRBDASBZIZCOY-UHFFFAOYSA-N
XLogP5.23
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine (CID 44585329) is 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is NCRBDASBZIZCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-27(2)12-5-13-28-22-10-8-18(9-11-22)20-14-21(17-25-16-20)24-15-19-6-3-4-7-23(19)26-24/h3-4,6-11,14-17,26H,5,12-13H2,1-2H3.
What are the key properties of 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 371.48 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(1H-indol-2-yl)-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 44585329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).