(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile

C19H23N3 — CID 76764287

IUPAC(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCCCC1=CCN(CCc2c[nH]c3ccccc23)[C@@H](C#N)C1
InChIInChI=1S/C19H23N3/c1-2-5-15-8-10-22(17(12-15)13-20)11-9-16-14-21-19-7-4-3-6-18(16)19/h3-4,6-8,14,17,21H,2,5,9-12H2,1H3/t17-/m1/s1
InChIKeyHFFHLWACSXXAOK-QGZVFWFLSA-N
MW293.41 g/mol
LogP4.03
Rot. Bonds5

About (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile

(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile (PubChem CID 76764287) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile
PubChem CID76764287
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCCCC1=CCN(CCc2c[nH]c3ccccc23)[C@@H](C#N)C1
InChIInChI=1S/C19H23N3/c1-2-5-15-8-10-22(17(12-15)13-20)11-9-16-14-21-19-7-4-3-6-18(16)19/h3-4,6-8,14,17,21H,2,5,9-12H2,1H3/t17-/m1/s1
InChIKeyHFFHLWACSXXAOK-QGZVFWFLSA-N
XLogP4.03
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
CID 171079929
3-heptyl-1H-indole
CID 15360907
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
(3R,4R)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 68688509
(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 11645106
2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
CID 75971095
(2S)-1-[2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-oxazol-5-yl]pyrrolidine-2-carbonitrile
CID 169260023
2-methylpiperazine;3-propyl-1H-indole
CID 143269934
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
methyl (4aS,8aS)-2-[2-(1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,7,8,8a-hexahydroisoquinoline-5-carboxylate
CID 11131923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The IUPAC name of (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile (CID 76764287) is (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile.
What is the SMILES notation for (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The canonical SMILES for (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile is CCCC1=CCN(CCc2c[nH]c3ccccc23)[C@@H](C#N)C1.
What is the InChIKey of (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The InChIKey is HFFHLWACSXXAOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-5-15-8-10-22(17(12-15)13-20)11-9-16-14-21-19-7-4-3-6-18(16)19/h3-4,6-8,14,17,21H,2,5,9-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile has a molecular weight of 293.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile is sourced from PubChem (CID 76764287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).