6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile

C22H18N4 — CID 93250153

IUPAC6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C22H18N4/c23-12-16-10-11-22(25-13-16)26-14-19(17-6-2-1-3-7-17)20-15-24-21-9-5-4-8-18(20)21/h1-11,13,15,19,24H,14H2,(H,25,26)/t19-/m0/s1
InChIKeyFVFQSEDEMFYRTH-IBGZPJMESA-N
MW338.41 g/mol
LogP4.68
Rot. Bonds5

About 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile

6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile (PubChem CID 93250153) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
PubChem CID93250153
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C22H18N4/c23-12-16-10-11-22(25-13-16)26-14-19(17-6-2-1-3-7-17)20-15-24-21-9-5-4-8-18(20)21/h1-11,13,15,19,24H,14H2,(H,25,26)/t19-/m0/s1
InChIKeyFVFQSEDEMFYRTH-IBGZPJMESA-N
XLogP4.68
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
CID 133400309
2-[[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 25353510
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-4-methoxypyrimidin-2-amine
CID 9320368
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096596
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 30096599
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
ethyl 3-[(5-cyano-2-pyridinyl)amino]-2-phenylpropanoate
CID 133323508
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile (CID 93250153) is 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nc1.
What is the InChIKey of 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is FVFQSEDEMFYRTH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H18N4/c23-12-16-10-11-22(25-13-16)26-14-19(17-6-2-1-3-7-17)20-15-24-21-9-5-4-8-18(20)21/h1-11,13,15,19,24H,14H2,(H,25,26)/t19-/m0/s1.
What are the key properties of 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile?
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 93250153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).