2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile

C24H23N5 — CID 25353510

IUPAC2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCN(C)c1ccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-29(2)19-11-9-17(10-12-19)21(15-28-24-18(14-25)6-5-13-26-24)22-16-27-23-8-4-3-7-20(22)23/h3-13,16,21,27H,15H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyFIQKERYVENSXEY-NRFANRHFSA-N
MW381.48 g/mol
LogP4.74
Rot. Bonds6

About 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile

2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 25353510) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID25353510
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCN(C)c1ccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N5/c1-29(2)19-11-9-17(10-12-19)21(15-28-24-18(14-25)6-5-13-26-24)22-16-27-23-8-4-3-7-20(22)23/h3-13,16,21,27H,15H2,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyFIQKERYVENSXEY-NRFANRHFSA-N
XLogP4.74
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 31851387
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113380
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113383
4-[1-(1H-indol-3-yl)-3-pyridin-4-ylpropyl]-N,N-dimethylaniline
CID 66668765
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 93250153
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133424819
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-propylthiourea
CID 8660529
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile (CID 25353510) is 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile is CN(C)c1ccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is FIQKERYVENSXEY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N5/c1-29(2)19-11-9-17(10-12-19)21(15-28-24-18(14-25)6-5-13-26-24)22-16-27-23-8-4-3-7-20(22)23/h3-13,16,21,27H,15H2,1-2H3,(H,26,28)/t21-/m0/s1.
What are the key properties of 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 381.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 25353510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).