4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline

C24H25N3 — CID 66668765

IUPAC4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CCc2ccncc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H25N3/c1-27(2)20-10-8-19(9-11-20)21(12-7-18-13-15-25-16-14-18)23-17-26-24-6-4-3-5-22(23)24/h3-6,8-11,13-17,21,26H,7,12H2,1-2H3
InChIKeyRPKVUPFNVUROIV-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.39
Rot. Bonds6

About 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline

4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline (PubChem CID 66668765) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
PubChem CID66668765
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CCc2ccncc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H25N3/c1-27(2)20-10-8-19(9-11-20)21(12-7-18-13-15-25-16-14-18)23-17-26-24-6-4-3-5-22(23)24/h3-6,8-11,13-17,21,26H,7,12H2,1-2H3
InChIKeyRPKVUPFNVUROIV-UHFFFAOYSA-N
XLogP5.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[[4-(dimethylamino)phenyl]-(1H-indol-3-yl)methyl]pyrimidin-4-amine
CID 110453278
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 25353510
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-propylthiourea
CID 8660529
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethoxy)propanamide
CID 86949984
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline (CID 66668765) is 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline is CN(C)c1ccc(C(CCc2ccncc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline?
The InChIKey is RPKVUPFNVUROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-27(2)20-10-8-19(9-11-20)21(12-7-18-13-15-25-16-14-18)23-17-26-24-6-4-3-5-22(23)24/h3-6,8-11,13-17,21,26H,7,12H2,1-2H3.
What are the key properties of 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline?
4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline has a molecular weight of 355.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline is sourced from PubChem (CID 66668765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).