3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine

C28H34N4O — CID 44585339

IUPAC3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2ccccc21
InChIInChI=1S/C28H34N4O/c1-30(2)14-7-15-32-27-9-6-5-8-23(27)19-28(32)25-18-24(20-29-21-25)22-10-12-26(13-11-22)33-17-16-31(3)4/h5-6,8-13,18-21H,7,14-17H2,1-4H3
InChIKeyHEWZYKXZOHINFJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.26
Rot. Bonds10

About 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine

3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 44585339) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID44585339
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2ccccc21
InChIInChI=1S/C28H34N4O/c1-30(2)14-7-15-32-27-9-6-5-8-23(27)19-28(32)25-18-24(20-29-21-25)22-10-12-26(13-11-22)33-17-16-31(3)4/h5-6,8-13,18-21H,7,14-17H2,1-4H3
InChIKeyHEWZYKXZOHINFJ-UHFFFAOYSA-N
XLogP5.26
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine (CID 44585339) is 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1c(-c2cncc(-c3ccc(OCCN(C)C)cc3)c2)cc2ccccc21.
What is the InChIKey of 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is HEWZYKXZOHINFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-30(2)14-7-15-32-27-9-6-5-8-23(27)19-28(32)25-18-24(20-29-21-25)22-10-12-26(13-11-22)33-17-16-31(3)4/h5-6,8-13,18-21H,7,14-17H2,1-4H3.
What are the key properties of 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 442.61 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]indol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 44585339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).